Information card for entry 7216009

Structure parameters

• Formula: C46 H48 N6 Ni O10
• Calculated formula: C46 H48 N6 Ni O10
• 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: 10.8266 ± 0.0007 Å
• b: 12.4225 ± 0.0007 Å
• c: 16.902 ± 0.001 Å
• α: 107.581 ± 0.001°
• β: 91.947 ± 0.001°
• γ: 99.378 ± 0.001°
• Cell volume: 2129.7 ± 0.2 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: 0.0531
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No