cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8298834
title: Ukraine Fire Perimeters 2022

description: The data set contains the fire perimeters for Ukraine for 2022 sourced from remote sensing data. The locations and dates of burning were detected using MODIS/VIIRS products on thermal anomalies. This information was used to select pre- and post-fire Copernicus Sentinel 2 L2A imagery. Satellite images were screened from clouds, cloud shadows and combined into median composite mosaics. The image mosaics were created using all available imagery within a 14-day time window before (pre-fire mosaic) and after (post-fire mosaic) each fire. Fire perimeters were visually delineated by comparing post and pre-fire image mosaics using a SWIR2–NIR–Red band combination. The spatial accuracy of fire perimeters corresponds to Sentinel 2 data at 20-m spatial resolution. Delineated fire perimeters were intersected with the Copernicus Dynamic Land Cover map at 100 m resolution (v.3.0.1) to extract burned areas of five land cover classes according to the following reclassification scheme of the original pixel values. <strong>Land cover class</strong> <strong>Original pixel values</strong> Coniferous forest (LC_1) 111 Broadleaved forest (LC_2) 112,113,114,115,116 Other natural landscape (LC_3) 121,124,125,126, 20,30,60,90 Agricultural land (LC_4) 40 Settlement (LC_5) 50 <strong>MetaData</strong> Field name Description id Unique identifier of each fire perimeter longitude Longitude referring to centroids of fire perimeters latitude Latitude referring to centroids of fire perimeters date Date of burning in the format DD.MM.YYYY year Year month Month day Day of the month week Week number in the year reg The capital city name of the Ukrainian regions (oblast) associated with each fire occupied A binary indicator variable referring to the locations of each fire within the Russian-occupied territory (1) or within the territory controlled by the Government of Ukraine (0) for a given date buff_30km A binary indicator variable referring to the location of each fire within a 30-km buffer zone on both sides of the front line. In contrast to a daily progression front line used to detect "occupied" territory, the buffer was calculated using the farthest position of a frontline towards territories controlled by the Government of Ukraine emerald A binary indicator variable referring to locations of each fire within the Emerald network Burned areas by land cover (LC) type (in hectares) within the fire perimeter according to the Copernicus Dynamic Land Cover map at 100 m resolution (v.3.0.1) LC_0 N/A LC_1 Coniferous forest LC_2 Broadleaved forest LC_3 Other natural landscape LC_4 Agricultural land LC_5 Settlement
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.9
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-35822 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/chmo0000156.9
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: 10.25345/c56q1st27
title: MassIVE MSV000092830 - Assessing the precision of a detergent-assisted cartridge precipitation workflow for quantitative proteomics
title: The repeatability of a cartridge-based bottom-up sample preparation workflow was evaluated, modelled, and benchmarked against conventional solution and in-gel digestion strategies.
DOI: 10.14272/dblydxdfrqusrq-qyqcsxrtsa-f.10
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-35824 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/chmo0000156.10
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/chmo0000156.11
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.11
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-35826 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.12
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-35828 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/chmo0000156.12
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.13
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-35830 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/chmo0000156.13
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/chmo0000156.14
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.14
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-35832 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/chmo0000156.15
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.15
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-35834 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.16
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-35836 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/chmo0000156.16
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)