Information card for entry 7015542

Structure parameters

• Formula: C50 H50.5 I1.5 N8.5 Ni3 O11.5
• Calculated formula: C50 H44 I1.654 N8.68 Ni3 O12.36
• Title of publication: High-spin Ni(II) clusters: triangles and planar tetranuclear complexes.
• Authors of publication: Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4590 - 4598
• a: 24.0128 ± 0.0012 Å
• b: 15.698 ± 0.0007 Å
• c: 15.7309 ± 0.0007 Å
• α: 90°
• β: 101.01 ± 0.002°
• γ: 90°
• Cell volume: 5820.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2088
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No