Information card for entry 4334053

Structure parameters

• Formula: C36.5 H35 N7 Ni O9.5
• Calculated formula: C36.5 H34.5 N7 Ni O9.5
• Title of publication: Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex
• Authors of publication: Nayanmoni Gogoi; Mehrez Thlijeni; Carine Duhayon; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2283 - 2285
• a: 8.39928 ± 0.00016 Å
• b: 18.0571 ± 0.0003 Å
• c: 23.6812 ± 0.0003 Å
• α: 90°
• β: 97.8721 ± 0.0016°
• γ: 90°
• Cell volume: 3557.8 ± 0.1 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0778
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No