Information card for entry 4302671

Structure parameters

• Formula: C36.22 H56.88 Cl2 N6 Ni O10.23
• Calculated formula: C36.223 H56.892 Cl2 N6 Ni O10.223
• Title of publication: Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries
• Authors of publication: Peter Comba; Christina Haaf; Hubert Wadepohl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6604 - 6614
• a: 20.256 ± 0.011 Å
• b: 10.243 ± 0.005 Å
• c: 19.179 ± 0.01 Å
• α: 90°
• β: 91.106 ± 0.005°
• γ: 90°
• Cell volume: 3979 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1266
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No