Information card for entry 4347638

Structure parameters

• Formula: C18 H40 Co2 N2 O17 P4
• Calculated formula: C18 H40 Co2 N2 O17 P4
• Title of publication: Multiple-Step Humidity-Induced Single-Crystal to Single-Crystal Transformations of a Cobalt Phosphonate: Structural and Proton Conductivity Studies.
• Authors of publication: Cai, Zhong-Sheng; Bao, Song-Song; Wang, Xi-Zhang; Hu, Zheng; Zheng, Li-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3706 - 3712
• a: 16.261 ± 0.005 Å
• b: 6.2566 ± 0.0019 Å
• c: 15.639 ± 0.005 Å
• α: 90°
• β: 114.182 ± 0.004°
• γ: 90°
• Cell volume: 1451.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No