Information card for entry 7004770

Structure parameters

• Formula: C40 H44 N12 Ni4 O18
• Calculated formula: C40 H44 N12 Ni4 O18
• Title of publication: Nickel(ii)‒azido ferromagnetic chains in a 3D porous metal‒organic framework with breathing guest molecules
• Authors of publication: Hu, Bo-Wen; Zhao, Jiong-Peng; Sañudo, E. C.; Liu, Fu-Chen; Zeng, Yong-Fei; Bu, Xian-He
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5556 - 5559
• a: 18.708 ± 0.005 Å
• b: 21.503 ± 0.006 Å
• c: 7.602 ± 0.002 Å
• α: 90°
• β: 107.636 ± 0.004°
• γ: 90°
• Cell volume: 2914.4 ± 1.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No