Information card for entry 7242014

Structure parameters

• Formula: C44 H42 Co2 N4 O15 P4 Si
• Calculated formula: C44 H42 Co2 N4 O15 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: 13.683 ± 0.0009 Å
• b: 14.9714 ± 0.001 Å
• c: 15.0532 ± 0.001 Å
• α: 61.509 ± 0.001°
• β: 68.125 ± 0.001°
• γ: 64.224 ± 0.001°
• Cell volume: 2386.9 ± 0.3 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: 0.0518
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No