Information card for entry 2232643

Structure parameters

• Chemical name: Diaquabis(dihydrogen 3-azaniumyl-1-hydroxypropylidene-1,1-diphosphonato- κ^2^<i>O</i>,<i>O</i>')cobalt(II)
• Formula: C6 H24 Co N2 O16 P4
• Calculated formula: C6 H24 Co N2 O16 P4
• SMILES: O1[Co]2([OH2])(OP(=O)(C(CC[NH3+])(O)P(=O)(O2)O)O)(OP(=O)(C(CC[NH3+])(O)P1(=O)O)O)[OH2]
• Title of publication: Diaquabis(dihydrogen 3-azaniumyl-1-hydroxypropylidene-1,1-diphosphonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)
• Authors of publication: Tsaryk, Natalia V.; Dudko, Anatolij V.; Kozachkova, Alexandra N.; Pekhnyo, Vasily I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1694
• a: 7.3292 ± 0.0002 Å
• b: 10.8172 ± 0.0003 Å
• c: 12.6403 ± 0.0003 Å
• α: 90°
• β: 120.801 ± 0.001°
• γ: 90°
• Cell volume: 860.79 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes