Information card for entry 7250872

Structure parameters

• Formula: C123 H109 Co3 N9 O18
• Calculated formula: C108 H74 Co3 N4 O13
• 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: 57.238 ± 0.002 Å
• b: 19.7412 ± 0.0009 Å
• c: 23.0425 ± 0.0009 Å
• α: 90°
• β: 109.198 ± 0.002°
• γ: 90°
• Cell volume: 24588.8 ± 1.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1573
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No