Information card for entry 2232087

Structure parameters

• Chemical name: Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate
• Formula: C2 H16 Co Na2 O16 P4
• Calculated formula: C2 H16 Co Na2 O16 P4
• SMILES: C1P(=O)(O[Co]2([OH2])(OP1(=O)O)([OH2])OP(=O)(CP(=O)(O)O2)O)O.O.[Na+].O.[Na+]
• Title of publication: Disodium diaquabis(methylenediphosphonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate
• Authors of publication: van der Merwe, Kina; Visser, Hendrik G.; Venter, Johan A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1468 - m1469
• a: 6.8694 ± 0.0002 Å
• b: 13.286 ± 0.0004 Å
• c: 8.3541 ± 0.0003 Å
• α: 90°
• β: 91.375 ± 0.001°
• γ: 90°
• Cell volume: 762.23 ± 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 significantly intense reflections: 0.0192
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes