Information card for entry 4302850

Structure parameters

• Formula: C15 H22 B2 F8 N6 Ni
• Calculated formula: C15 H22 B2 F8 N6 Ni
• Title of publication: Imidazole-Containing (N3S)-NiII Complexes Relating to Nickel Containing Biomolecules
• Authors of publication: Roxanne M. Jenkins; Michael L. Singleton; Elky Almaraz; Joseph H. Reibenspies; Marcetta Y. Darensbourg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7280 - 7293
• a: 11.835 ± 0.0019 Å
• b: 13.9584 ± 0.0019 Å
• c: 13.0506 ± 0.0013 Å
• α: 90°
• β: 104.383 ± 0.007°
• γ: 90°
• Cell volume: 2088.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No