Information card for entry 2205553

Structure parameters

• Chemical name: Bis[tris(3,5-dimethylpyrazolyl)methane]nickel(II) dibromide
• Formula: C32 H44 Br2 N12 Ni
• Calculated formula: C32 H44 Br2 N12 Ni
• Title of publication: Bis[tris(3,5-dimethylpyrazolyl)methane]nickel(II) dibromide
• Authors of publication: Annie Michaud; Frédéric-Georges Fontaine; Davit Zargarian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m784 - m786
• a: 18.924 ± 0.0002 Å
• b: 10.996 ± 0.001 Å
• c: 8.8821 ± 0.0001 Å
• α: 90°
• β: 92.58 ± 0.001°
• γ: 90°
• Cell volume: 1846.39 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes