Information card for entry 7015543

Structure parameters

• Formula: C101 H108 F10.4 N16 Ni6 O21 Si1.6
• Calculated formula: C103 H88 F10.4 N16 Ni6 O23 Si1.6
• 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: 23.105 ± 0.005 Å
• b: 22.054 ± 0.005 Å
• c: 23.008 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11724 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No