Information card for entry 7116319

Structure parameters

• Formula: C40 H41 Cl2 N12 Ni O2.5
• Calculated formula: C40 H41 Cl2 N12 Ni O2.5
• Title of publication: A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic properties for silylcyanation of aromatic aldehydes
• Authors of publication: Xiao-Meng Zhang; Chao-Wei Zhao; Jian-Ping Ma; Yang Yu; Qi-Kui Liu; Yu-Bin Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 839
• a: 17.941 ± 0.013 Å
• b: 21.24 ± 0.015 Å
• c: 13.616 ± 0.01 Å
• α: 90°
• β: 130.316 ± 0.007°
• γ: 90°
• Cell volume: 3956 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No