Information card for entry 4332790

Structure parameters

• Formula: C15 H20 B Br N6 Ni
• Calculated formula: C15 H20 B Br N6 Ni
• Title of publication: Electronic Structure of Four-CoordinateC3vNickel(II) Scorpionate Complexes: Investigation by High-Frequency and -Field Electron Paramagnetic Resonance and Electronic Absorption Spectroscopies
• Authors of publication: Desrochers, Patrick J.; Telser, Joshua; Zvyagin, S. A.; Ozarowski, Andrew; Krzystek, J.; Vicic, David A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8930 - 8941
• a: 13.209 ± 0.002 Å
• b: 8.0823 ± 0.0016 Å
• c: 17.639 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883.1 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No