Information card for entry 7242011

Structure parameters

• Formula: C44 H42 Co2 N4 O15 P4 Si
• Calculated formula: C44 H40 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: 12.8502 ± 0.0005 Å
• b: 25.0643 ± 0.001 Å
• c: 15.0803 ± 0.0006 Å
• α: 90°
• β: 100.722 ± 0.001°
• γ: 90°
• Cell volume: 4772.3 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No