Information card for entry 1558446

Structure parameters

• Common name: [Co(en)2Cl(H2O)]H2S3P2O6.H2O
• Formula: C4 H22 Cl Co N4 O8 P2 S3
• Calculated formula: C4 H5 Cl Co N4 O8 P2 S3
• SMILES: [Co]12(Cl)([OH2])([NH2]CC[NH2]1)[NH2]CC[NH2]2.S(SSP(=O)(O)[O-])P(=O)([O-])[O-].O
• Title of publication: The Dihydrogentrisulfanediphosphonate Ion. Preparation and Crystal Structures of BaH2S3P2O6.C2H5OH and [Co(en)2Cl(H2O)]H2S3P2O6.H2O
• Authors of publication: Janickis, Vitalijus; Maroy, Kjartan
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1994
• Journal volume: 48
• Pages of publication: 465 - 470
• a: 7.328 ± 0.001 Å
• b: 9.892 ± 0.001 Å
• c: 13.613 ± 0.001 Å
• α: 87.68 ± 0.01°
• β: 84.04 ± 0.01°
• γ: 69.33 ± 0.01°
• Cell volume: 918.27 ± 0.18 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No