{ "vercy": "1.0-draft", "publication": { "status": "research-draft", "adjudicationStatus": "unreviewed", "publishableCanonical": false, "generatedAt": "2026-09-12T11:59:05Z", "providers": [ "Codex" ], "breadth": "recalled by Codex without web access - no source was read", "missingProviders": [], "pass": 2, "cost": { "grok": { "seconds": 17.7, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a0957b-11e6-7c92-a756-e99ed3c289d7\n--------\nuser\nDescribe what is already known about one registered thing. Answer as JSON only, no prose around it.\n\nThing: pentacarbonylhydridorhenium\nSense to describe: (none recorded)\nDomain code: PHY.MAT\nAlso known as: (none)\n\n\nContext for this batch of 1001 things:\n# Bat", "usd": 0.0, "recall": true }, "codex": { "seconds": 80.0, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a0957b-11e6-7090-b369-be01432dca32\n--------\nuser\nYou are drafting a Vercy meta-model for one registered thing. Answer as JSON only, no prose around it.\n\nThing: pentacarbonylhydridorhenium\nRegistry id: vr.tr.pentacarbonylhydridorhenium\nPlane / domain: PHY / PHY.MAT\nRegistry definition: (none recorded)\nNames f" } }, "enrichment": { "pass": 3, "engine": "claude", "producedAt": "2026-10-06T12:00:00Z", "ingestedAt": "2026-10-06T08:51:29+00:00", "fields": [ "agent_conduct", "ethics", "failure_modes_and_hazards", "owners", "standards_and_regulation", "visual_identification" ] }, "gate": { "passed": true, "version": "1.0", "at": "2026-10-07T10:10:32+00:00", "evidence": [ "completeness 1.00", "sense: Wikidata description", "2 live sources", "review by codex: pass" ] } }, "metaModel": { "id": "THING-Q7164927", "registryId": "vr.tr.pentacarbonylhydridorhenium", "name": "pentacarbonylhydridorhenium", "version": "0.1.0-research.1", "entryKind": "thing", "family": "Thing Registry", "domain": [ "PHY.MAT" ], "status": "research-draft" }, "canonicalUrl": "https://ver.cy/models/thing/q7164927/", "model": { "registry_id": "vr.tr.pentacarbonylhydridorhenium", "name": "pentacarbonylhydridorhenium", "purpose": "Enable an agent to recognise pentacarbonylhydridorhenium, assess a sample's identity and condition, and determine whether evidence supports its intended handling or chemical use.", "definition": "Pentacarbonylhydridorhenium, HRe(CO)5, is a neutral organometallic rhenium(I) complex containing one hydrido ligand and five carbon monoxide ligands in an approximately octahedral coordination arrangement.", "scope_statement": "This model owns vr.tr.pentacarbonylhydridorhenium in PHY / PHY.MAT: the molecular substance HRe(CO)5, its identifying coordination chemistry, sample composition, condition-dependent properties, reactivity and documented handling constraints.", "in_scope": [ "Identity of the mononuclear rhenium complex containing one hydride and five carbonyl ligands", "Evidence distinguishing intact HRe(CO)5 from related rhenium carbonyl species", "Purity, concentration, solvent, isotopic composition and synthesis-derived impurities", "Physical state, measured properties and stability under specified conditions", "Chemical transformations and substance-specific safety evidence" ], "out_of_scope": [ "Dirhenium decacarbonyl and other rhenium carbonyl compounds as independent substances", "Complete synthesis procedures and reaction equipment", "Commercial formulations, packaging and supplier products as separate entities", "Supported rhenium catalysts and their catalytic performance", "General rhenium toxicology or carbon monoxide hazards without an explicit applicability assessment" ], "distinguishing_features": [ "Establish one rhenium centre, five CO ligands and one metal-bound hydrogen; HRe(CO)5 is the hydride identified in the primary literature. [Inorganic Syntheses, volume 28](https://sites.lsa.umich.edu/jbuss/wp-content/uploads/sites/811/2020/08/inorganic-synthesis28.pdf)", "Require evidence for metal-bound hydride to distinguish the target from halopentacarbonylrhenium precursors and the pentacarbonylrhenate anion.", "Resolve mononuclear hydride from Re2(CO)10 and polynuclear hydride carbonyls using complementary composition and spectroscopic evidence.", "Distinguish the five-carbonyl parent from species formed after carbonyl loss; lower-carbonyl hydrides are treated separately in the primary literature. [Diverse Roles of Hydrogen in Rhenium Carbonyl Chemistry](https://pubs.acs.org/doi/10.1021/jp103267v)" ], "characteristics": [ { "name": "Molecular and coordination identity", "kind": "category", "unit_or_values": "HRe(CO)5; record charge, hydride assignment and carbonyl count", "why_it_matters": "Separates the registered substance from related rhenium carbonyls with different charge or ligand inventories." }, { "name": "External identifier mapping", "kind": "relation", "unit_or_values": "Verified CAS, PubChem and EC records, each with source and identity match", "why_it_matters": "Prevents names or identifiers for neighbouring rhenium compounds from being attached to this entry." }, { "name": "Hydride resonance", "kind": "measurement", "unit_or_values": "1H NMR chemical shift in ppm, with reference, solvent, temperature and integration", "why_it_matters": "Supports hydride identification and comparison with related or transformed species." }, { "name": "Carbonyl stretching signature", "kind": "measurement", "unit_or_values": "IR band positions in cm^-1, with intensities, phase and acquisition conditions", "why_it_matters": "Tracks the carbonyl coordination environment and possible mixtures." }, { "name": "Assay and impurity profile", "kind": "measurement", "unit_or_values": "Mass fraction or molar fraction; named analytes, method and detection limits", "why_it_matters": "Distinguishes usable target material from precursor, by-products and residual reagents." }, { "name": "Solution composition", "kind": "measurement", "unit_or_values": "HRe(CO)5 concentration in mol/L, solvent identity and uncertainty", "why_it_matters": "Connects sample quantity and measured behaviour to the actual solution." }, { "name": "Physical state and transition properties", "kind": "state", "unit_or_values": "Observed phase at temperature in K and pressure in Pa; transitions recorded separately", "why_it_matters": "Avoids treating an observation in solution or under vacuum as a property of the neat substance at ambient conditions." }, { "name": "Chemical integrity", "kind": "state", "unit_or_values": "Intact, mixed, transformed or unverified, with analytical evidence and timestamp", "why_it_matters": "Determines whether the sample still represents the registered molecule." }, { "name": "Acidity and hydrogen-transfer behaviour", "kind": "measurement", "unit_or_values": "Solvent-specific pKa or defined reaction thermodynamic and kinetic quantities", "why_it_matters": "Prevents proton transfer, hydrogen-atom transfer and hydride transfer from being conflated." }, { "name": "Hazard and regulatory evidence", "kind": "relation", "unit_or_values": "Substance-specific SDS, jurisdiction, revision date, classification and documented evidence gaps", "why_it_matters": "Supports handling decisions without inventing classifications or exposure limits." } ], "affordances": [ "Match an observed sample to HRe(CO)5 using hydride and carbonyl evidence.", "Compare sample purity and concentration with requirements for a specified experiment.", "Track whether storage or exposure has changed the rhenium carbonyl species present.", "Evaluate a proposed transformation using evidence for the relevant hydrogen-transfer or ligand-change pathway.", "Select documented handling and waste controls appropriate to the actual sample and its solvent." ], "agent_conduct": { "may": [ "Identify the rhenium hydride complex from labels, identifiers and analytical data.", "Record the storage condition and integrity of a sample for its keeper.", "Report its documented hazards from the supplier's safety data sheet." ], "must_not": [ "Open or handle it outside a controlled laboratory setting.", "Heat or decompose it where carbon monoxide can reach people.", "Dispose of it in drains or ordinary waste.", "Assume an old sample still has its stated identity." ], "requires_human": [ "Disposal of a sample.", "Use of a sample outside its documented purpose." ] }, "ethics": { "considerations": [ "Metal carbonyls can release carbon monoxide, an invisible hazard to staff.", "Accurate records protect the research that uses them." ], "affected_parties": [ "Laboratory staff", "Researchers using the results" ] }, "owners": { "steward": "The laboratory or organization that holds the sample.", "master_systems": [] }, "visual_identification": [ "Identity rests on the container label and analysis, not appearance.", "Stored sealed under inert conditions; a broken seal suggests degradation." ], "failure_modes_and_hazards": [ "Decomposition can release toxic carbon monoxide.", "Sensitivity to air and light can degrade samples.", "Contact or inhalation harm to staff." ], "standards_and_regulation": [ "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), United Nations." ], "what_it_is_for": [ "Pentacarbonylhydridorhenium is encountered in specialist organometallic chemistry research as a rhenium carbonyl hydride complex.", "It is used to investigate metal-hydrogen bonding, carbonyl coordination and the reactivity of transition-metal hydrides." ] }, "sources": [ { "id": "wikidata", "title": "Wikidata item Q7164927: pentacarbonylhydridorhenium", "url": "https://www.wikidata.org/wiki/Q7164927", "url_status": "live", "what_it_supports": "identity and sense of the item", "checked_by": "wikidata-api" }, { "id": "wikipedia-en", "title": "Wikipedia: Pentacarbonylhydridorhenium", "url": "https://en.wikipedia.org/wiki/Pentacarbonylhydridorhenium", "url_status": "live", "what_it_supports": "general description of the item", "checked_by": "wikidata-api sitelink" } ], "structure": { "bundles": [ { "id": "hydride-carbonyl-identity", "name": "Hydride carbonyl identity", "description": "Establish what counts as the registered HRe(CO)5 substance.", "rationale": "Similar rhenium carbonyl names can conceal changes in nuclearity, charge or hydrogen binding.", "layers": [ { "id": "molecular-boundary", "name": "Molecular boundary", "description": "Define the ligand inventory and molecular boundary required for identity.", "findings": [ { "id": "parent-complex-assignment", "name": "Parent complex assignment", "description": "Require evidence for the intact mononuclear pentacarbonyl hydride.", "questions": [ { "text": "What evidence establishes one Re centre, five CO ligands and a metal-bound hydride in the species being modelled?", "kind": "definition", "id": "parent-complex-assignment-q01" }, { "text": "Which changes in charge, carbonyl count or nuclearity require linking to a different substance model?", "kind": "boundary", "id": "parent-complex-assignment-q02" } ] } ] }, { "id": "registry-and-isotope-mapping", "name": "Registry and isotope mapping", "description": "Align chemical names and external identifiers while retaining isotope distinctions.", "findings": [ { "id": "identifier-equivalence", "name": "Identifier equivalence", "description": "Verify that external records refer to the target molecule rather than a related carbonyl or formulation.", "questions": [ { "text": "Which CAS, PubChem and EC records explicitly identify HRe(CO)5, and which supporting records were checked?", "kind": "provenance", "id": "identifier-equivalence-q01" }, { "text": "How should DRe(CO)5 or carbonyl-isotope-labelled samples be represented without silently equating their measured properties with those of the unlabelled material?", "kind": "boundary", "id": "identifier-equivalence-q02" } ] } ] } ] }, { "id": "analytical-identity-and-purity", "name": "Analytical identity and purity", "description": "Determine whether analytical observations support the target assignment and quantify competing species.", "rationale": "A carbonyl signal alone does not establish that the sample contains the intended hydride.", "layers": [ { "id": "complementary-spectroscopy", "name": "Complementary spectroscopy", "description": "Combine hydride-sensitive and carbonyl-sensitive observations.", "findings": [ { "id": "spectral-assignment", "name": "Spectral assignment", "description": "Record reference-supported NMR and IR assignments with their measurement conditions.", "questions": [ { "text": "Which 1H NMR resonance supports the Re-H assignment, and what reference, solvent and temperature were used?", "kind": "measurement", "id": "spectral-assignment-q01" }, { "text": "Which carbonyl IR bands support intact HRe(CO)5, and how are overlapping bands from related rhenium carbonyls excluded?", "kind": "measurement", "id": "spectral-assignment-q02" } ] } ] }, { "id": "sample-composition", "name": "Sample composition", "description": "Separate molecular identification from quantitative purity and solution composition.", "findings": [ { "id": "route-linked-impurities", "name": "Route-linked impurities", "description": "Use preparation history to identify candidate impurities, then confirm their presence analytically.", "questions": [ { "text": "Which precursors, residual reagents and rhenium carbonyl by-products are plausible from this sample's documented preparation?", "kind": "provenance", "id": "route-linked-impurities-q01" }, { "text": "What validated method quantifies HRe(CO)5 and relevant impurities, including species not resolved by the principal assay?", "kind": "measurement", "id": "route-linked-impurities-q02" } ] } ] } ] }, { "id": "physical-state-and-persistence", "name": "Physical state and persistence", "description": "Record the conditions under which a sample's phase, concentration and molecular identity remain established.", "rationale": "A solution observation, a neat-sample property and a decomposition event have different implications for handling this carbonyl hydride.", "layers": [ { "id": "phase-and-transport-properties", "name": "Phase and transport properties", "description": "Attach physical-property values to a defined material state and measurement method.", "findings": [ { "id": "conditioned-property-values", "name": "Conditioned property values", "description": "Distinguish phase changes and volatility measurements from chemical decomposition.", "questions": [ { "text": "What phase is directly observed at the recorded temperature and pressure, and is the material neat or dissolved?", "kind": "measurement", "id": "conditioned-property-values-q01" }, { "text": "Which melting, boiling, sublimation or vapour-pressure measurements are available, and do they demonstrate intact HRe(CO)5 rather than decomposition?", "kind": "measurement", "id": "conditioned-property-values-q02" } ] } ] }, { "id": "exposure-and-ageing", "name": "Exposure and ageing", "description": "Relate sample history to evidence of retained or changed chemical identity.", "findings": [ { "id": "integrity-under-storage", "name": "Integrity under storage", "description": "Establish storage limits from documented observations rather than assumed metal-carbonyl behaviour.", "questions": [ { "text": "What evidence establishes the effects of light, temperature, oxygen, moisture and solvent on this sample's integrity?", "kind": "provenance", "id": "integrity-under-storage-q01" }, { "text": "What analytical change or elapsed-time criterion requires reassaying the sample before use?", "kind": "action", "id": "integrity-under-storage-q02" } ] } ] } ] }, { "id": "hydrogen-and-carbonyl-reactivity", "name": "Hydrogen and carbonyl reactivity", "description": "Represent transformations according to the bond changes and species actually demonstrated.", "rationale": "The hydride ligand does not by itself establish a universal reducing function, and carbonyl loss changes the molecular target.", "layers": [ { "id": "hydrogen-transfer-pathways", "name": "Hydrogen transfer pathways", "description": "Distinguish acidity from other modes of hydrogen transfer.", "findings": [ { "id": "transfer-mode-evidence", "name": "Transfer mode evidence", "description": "Require reaction-specific evidence before assigning proton, hydrogen-atom or hydride donation.", "questions": [ { "text": "Which measurements establish proton transfer involving HRe(CO)5 and [Re(CO)5]-, including solvent and equilibrium conventions?", "kind": "measurement", "id": "transfer-mode-evidence-q01" }, { "text": "For a proposed hydrogen-transfer reaction, what evidence identifies the transferred species and supports the intended outcome?", "kind": "action", "id": "transfer-mode-evidence-q02" } ] } ] }, { "id": "ligand-loss-and-product-boundaries", "name": "Ligand loss and product boundaries", "description": "Track carbonyl substitution, carbonyl loss and changes in nuclearity as transformations.", "findings": [ { "id": "transformation-assignment", "name": "Transformation assignment", "description": "Separate demonstrated products from proposed intermediates and computational predictions.", "questions": [ { "text": "Under the specified conditions, what evidence supports CO loss, ligand substitution or formation of a polynuclear rhenium species?", "kind": "provenance", "id": "transformation-assignment-q01" }, { "text": "At what measured conversion should the sample be described as a mixture or linked to a product model rather than treated as intact HRe(CO)5?", "kind": "boundary", "id": "transformation-assignment-q02" } ] } ] } ] }, { "id": "handling-and-regulatory-evidence", "name": "Handling and regulatory evidence", "description": "Connect the actual carbonyl-hydride sample to supported handling constraints and applicable records.", "rationale": "Unverified substance hazards, possible transformation products and solvent hazards must each be represented accurately.", "layers": [ { "id": "substance-specific-hazard-basis", "name": "Substance-specific hazard basis", "description": "Establish which classifications and exposure guidance actually apply to HRe(CO)5.", "findings": [ { "id": "hazard-record-applicability", "name": "Hazard record applicability", "description": "Retain the provenance and scope of each safety assertion.", "questions": [ { "text": "Which current SDS or authoritative assessment covers this exact substance, and what classification does it support in the relevant jurisdiction?", "kind": "provenance", "id": "hazard-record-applicability-q01" }, { "text": "Are reported exposure limits specific to HRe(CO)5, broader rhenium categories, carbon monoxide or the solvent, and where is evidence absent?", "kind": "boundary", "id": "hazard-record-applicability-q02" } ] } ] }, { "id": "operation-and-waste-constraints", "name": "Operation and waste constraints", "description": "Evaluate proposed handling using sample composition and documented transformation hazards.", "findings": [ { "id": "condition-specific-controls", "name": "Condition-specific controls", "description": "Connect operational controls to supported hazards of the material and its possible products.", "questions": [ { "text": "Does evidence for the proposed heating, irradiation or chemical treatment establish CO release or other hazardous products, and what controls follow?", "kind": "action", "id": "condition-specific-controls-q01" }, { "text": "Which documented containment, storage and waste route applies to this rhenium-containing sample at its actual concentration and solvent composition?", "kind": "action", "id": "condition-specific-controls-q02" } ] } ] } ] }, { "id": "evidence-and-external-alignment", "name": "Evidence and external alignment", "description": "What the world already says about this thing, gathered so the model can be checked against it.", "rationale": "A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.", "layers": [ { "id": "reported-evidence", "name": "Reported evidence", "description": "Findings from the breadth pass, kept separate from the structural claims.", "findings": [ { "id": "evidence-confidence-notes", "name": "Check these first", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "This description is recalled knowledge, not a source-verified assessment.", "Verify CAS and other registry identifiers, physical state, melting point, stability, and substance-specific hazard classifications.", "Acidity and reaction behavior depend on solvent and conditions; no numerical acidity value is asserted." ], "questions": [ { "id": "evidence-confidence-notes-q01", "text": "Which of these check these first hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-identifiers", "name": "Identifiers and schemes", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "scheme": "Chemical formula", "value_or_pattern": "HRe(CO)5", "note": "Coordination formula; the corresponding elemental formula is C5HO5Re." } ], "questions": [ { "id": "evidence-identifiers-q01", "text": "Which of these identifiers and schemes hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-real-world-use", "name": "Real-world use", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Research on transition-metal hydrides and metal-carbonyl chemistry.", "Studies of proton-transfer reactions involving metal hydrides and their conjugate-base carbonyl anions." ], "questions": [ { "id": "evidence-real-world-use-q01", "text": "Which of these real-world use hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-measurements", "name": "Typical measurements", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "quantity": "Molar mass", "typical_range": "Approximately 327.27", "unit": "g/mol" } ], "questions": [ { "id": "evidence-measurements-q01", "text": "Which of these typical measurements hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-failure-modes-and-hazards", "name": "Failure modes and hazards", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Decomposition can release carbon monoxide; specific decomposition conditions and exposure hazards require verification." ], "questions": [ { "id": "evidence-failure-modes-and-hazards-q01", "text": "Which of these failure modes and hazards hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-neighbours", "name": "Neighbouring kinds and how to tell them apart", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "name": "Pentacarbonylrhenate(-I)", "difference": "[Re(CO)5]− lacks the hydrido ligand and is the conjugate base of HRe(CO)5." }, { "name": "Dirhenium decacarbonyl", "difference": "Re2(CO)10 contains two rhenium atoms joined by a metal-metal bond and has no hydrido ligand." }, { "name": "Pentacarbonylhydridomanganese", "difference": "HMn(CO)5 has manganese in place of rhenium." } ], "questions": [ { "id": "evidence-neighbours-q01", "text": "Which of these neighbouring kinds and how to tell them apart hold for the sense of pentacarbonylhydridorhenium this model covers, and on what evidence?", "kind": "provenance" } ] } ] } ] } ] }, "openQuestions": [ "Which CAS, PubChem and EC identifiers are independently verified for this exact molecular identity?", "What primary experimental references establish diagnostic hydride NMR and carbonyl IR values under comparable conditions?", "Which phase-transition, volatility and solubility measurements describe intact material, and which observations involve decomposition?", "What measured stability limits apply across storage temperature, illumination, atmosphere and solvent?", "What substance-specific toxicology, GHS classification and exposure guidance exist, and which proposed handling restrictions remain unsupported?" ], "statistics": { "bundles": 6, "layers": 11, "findings": 16, "questions": 26 } }