Information card for entry 2217838

Structure parameters

• Chemical name: Diammonium diaquabis(malonato-κ^2^O,O')cobalt(II) dihydrate
• Formula: C6 H20 Co N2 O12
• Calculated formula: C6 H20 Co N2 O12
• SMILES: [NH4+].[OH2][Co]12(OC(=O)CC(=O)O1)(OC(=O)CC(=O)O2)[OH2].O.[NH4+].O
• Title of publication: Diammonium diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) dihydrate
• Authors of publication: Xu, Haiyun; Wang, Fengwu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m493
• a: 6.95 ± 0.002 Å
• b: 7.075 ± 0.002 Å
• c: 7.433 ± 0.002 Å
• α: 89.032 ± 0.005°
• β: 73.076 ± 0.005°
• γ: 88.062 ± 0.005°
• Cell volume: 349.45 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes