five

[AuCo(dpptpa)Cl](NTf2)2

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DataCite Commons2026-01-15 更新2026-04-25 收录
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This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C42H36N4P2.2C2F6NO4S2.Au.ClH.Co/c1-5-20-37(21-6-1)47(38-22-7-2-8-23-38)41-28-15-18-35(44-41)32-46(31-34-17-13-14-30-43-34)33-36-19-16-29-42(45-36)48(39-24-9-3-10-25-39)40-26-11-4-12-27-40;2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;/h1-30H,31-33H2;;;;1H;/q;2*-1;+1;;+2/p-1, and canonical SMILES descriptor[cheminf_000007]: c1ccc(nc1)CN(Cc1cccc(n1)P(c1ccccc1)c1ccccc1)Cc1cccc(n1)P(c1ccccc1)c1ccccc1.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Cl-][Au+].[Co+2], and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-42924 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) CHMO:0001076 | carbon, hydrogen and nitrogen elemental analysis (CHN analysis) CHMO:0000159 | single crystal X-ray diffraction (single-crystal X-ray diffraction) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
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chemotion-repository
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2026-01-15
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