Information card for entry 4334054

Structure parameters

• Formula: C86.33 H93 N31.67 Ni3 O20 W2
• Calculated formula: C86.332 H84.998 N31.666 Ni3 O20 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: 29.1095 ± 0.0002 Å
• b: 16.8728 ± 0.0001 Å
• c: 21.417 ± 0.0001 Å
• α: 90°
• β: 90.182 ± 0.001°
• γ: 90°
• Cell volume: 10519.1 ± 0.11 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.05
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0314
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No