Information card for entry 7250871

Structure parameters

• Formula: C82 H77 Co2 N2 O16
• Calculated formula: C74 H45 Co2 N2 O8
• Title of publication: Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks
• Authors of publication: Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 42
• Pages of publication: 6894 - 6904
• a: 15.243 ± 0.002 Å
• b: 15.243 ± 0.002 Å
• c: 45.096 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10478 ± 3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.1747
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.2556
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No