Information card for entry 4334055

Structure parameters

• Formula: C121 H91 N31 Ni3 O8 W2
• Calculated formula: C121 H91 N31 Ni3 O8 W2
• 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: 11.0517 ± 0.0004 Å
• b: 30.978 ± 0.0011 Å
• c: 21.1989 ± 0.0007 Å
• α: 90°
• β: 98.685 ± 0.002°
• γ: 90°
• Cell volume: 7174.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No