Information card for entry 7015541

Structure parameters

• Formula: C50.5 H51.75 I2 N8 Ni3 O10.5
• Calculated formula: C50.607 H51.821 I2 N8 Ni3 O10.607
• 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: 24.004 ± 0.002 Å
• b: 15.6042 ± 0.0014 Å
• c: 15.695 ± 0.0015 Å
• α: 90°
• β: 99.916 ± 0.001°
• γ: 90°
• Cell volume: 5790.9 ± 0.9 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: 0.0756
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No