Information card for entry 7216008

Structure parameters

• Formula: C45 H41 N5 Ni O8
• Calculated formula: C45 H41 N5 Ni O8
• Title of publication: Four new metal‒organic frameworks based on a rigid linear ligand: synthesis, optical properties and structural investigation
• Authors of publication: Zhang, Chuanlei; Hao, Han; Shi, Zhenzhen; Zheng, Hegen
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 7.2985 ± 0.0004 Å
• b: 16.4843 ± 0.001 Å
• c: 34.438 ± 0.002 Å
• α: 90 ± 0.001°
• β: 90 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 4143.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No