Information card for entry 7223264

Structure parameters

• Formula: C57 H110 N12 Ni2 O29
• Calculated formula: C57 H104 N12 Ni2 O29
• Title of publication: Tunable gas adsorption properties of porous coordination polymers by modification of macrocyclic metallic tectons
• Authors of publication: Jiang, Xiang; Hu, Kong-Qiu; Kou, Hui-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4084
• a: 37.153 ± 0.003 Å
• b: 8.9381 ± 0.0008 Å
• c: 29.414 ± 0.003 Å
• α: 90°
• β: 127.964 ± 0.002°
• γ: 90°
• Cell volume: 7700.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1148
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No