Information card for entry 4333422

Structure parameters

• Formula: C10 H22 Co N4 O16 P4
• Calculated formula: C10 H22 Co N4 O16 P4
• SMILES: c1n(cc[nH+]1)CC1(O)P(=O)(O)O[Co]2(OP1(=O)O)(OP(=O)(C(Cn1c[nH+]cc1)(O)P(=O)(O2)O)O)([OH2])[OH2]
• Title of publication: Layered cobalt(II) and nickel(II) diphosphonates showing canted antiferromagnetism and slow relaxation behavior.
• Authors of publication: Cao, Deng-Ke; Li, Yi-Zhi; Zheng, Li-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7571 - 7578
• a: 7.417 ± 0.002 Å
• b: 8.433 ± 0.003 Å
• c: 9.756 ± 0.003 Å
• α: 105.358 ± 0.006°
• β: 111.757 ± 0.006°
• γ: 97.075 ± 0.006°
• Cell volume: 529.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No