Information card for entry 7214979

Structure parameters

• Formula: C40 H30 N4 Ni O7
• Calculated formula: C40 H30 N4 Ni O7
• Title of publication: Construction of a series of metal‒organic frameworks with a neutral tetradentate ligand and rigid carboxylate co-ligands
• Authors of publication: Qin, Ling; Hu, Jin-Song; Zhang, Ming-Dao; Li, Yi-Zhi; Zheng, He-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 8274
• a: 14.0498 ± 0.0012 Å
• b: 20.914 ± 0.0017 Å
• c: 11.6127 ± 0.0009 Å
• α: 90°
• β: 94.684 ± 0.002°
• γ: 90°
• Cell volume: 3400.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No