Information card for entry 7242012

Structure parameters

• Formula: C44 H60 Co2 N4 O24 P4 Si
• Calculated formula: C44 H60 Co2 N4 O24 P4 Si
• Title of publication: Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation
• Authors of publication: Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 876 - 883
• a: 14.8494 ± 0.0014 Å
• b: 14.9534 ± 0.0013 Å
• c: 15.098 ± 0.0013 Å
• α: 67.608 ± 0.002°
• β: 88.443 ± 0.002°
• γ: 64.186 ± 0.002°
• Cell volume: 2751.4 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No