Information card for entry 7232815

Structure parameters

• Formula: C70 H58 N12 Ni2 O12
• Calculated formula: C70 H58 N12 Ni2 O12
• Title of publication: Syntheses, structural diversity, and photocatalytic-degradation properties for methylene blue of Co(ii) and Ni(ii) MOFs based on terephthalic acid and different imidazole bridging ligands
• Authors of publication: Cui, Lian-sheng; Meng, Xiang-min; Li, Yong-gang; Huang, Ke-rui; Li, Yuan-cheng; Long, Jin-qiao; Yao, Peng-fei
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 3798
• a: 10.7442 ± 0.0017 Å
• b: 12.3398 ± 0.0019 Å
• c: 12.8388 ± 0.0018 Å
• α: 66.107 ± 0.005°
• β: 78.733 ± 0.006°
• γ: 82.276 ± 0.006°
• Cell volume: 1523.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No