cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.17
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35838 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.17
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.18
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35840 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.18
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.19
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.19
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35842 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.20
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35844 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.20
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.21
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35846 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.21
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.22
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35848 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.22
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.23
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.23
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35850 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.24
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35852 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.24
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.25
title: C51H49Cu8N16O16
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: 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/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;, and canonical SMILES descriptor[cheminf_000007]: C1CN2CCN1CC2.C1CN2CCN1CC2.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[N-]=[N+]=Nc1cc(ccc1/C=C/c1ccc(cc1N=[N+]=[N-])C(=O)[O-])C(=O)[O-].[Cu][Cu].[Cu][Cu].[Cu][Cu].[Cu][Cu], 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-35854 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:0000156 | X-ray diffraction (XRD) 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
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.25
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f/chmo0000156.26
title: X-ray diffraction (XRD) ()
title: InChI=1S/2C16H10N6O4.2C6H12N2.4C2H4O2.8Cu/c2*17-21-19-13-7-11(15(23)24)5-3-9(13)1-2-10-4-6-12(16(25)26)8-14(10)20-22-18;2*1-2-8-5-3-7(1)4-6-8;4*1-2(3)4;;;;;;;;/h2*1-8H,(H,23,24)(H,25,26);2*1-6H2;4*1H3,(H,3,4);;;;;;;;/p-8/b2*2-1+;;;;;;;;;;;;;;

description: dataset for X-ray diffraction (XRD)