Information card for entry 2229719

Structure parameters

• Chemical name: (Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')[hydrotris(3,5-diphenylpyrazol- 1-yl-κ<i>N</i>^2^)borato]nickel(II) bromide dichloromethane monosolvate
• Formula: C56 H45 B Br Cl2 N9 Ni
• Calculated formula: C56 H45 B Br Cl2 N9 Ni
• SMILES: [Ni]123([n]4n([BH](n5[n]1c(cc5c1ccccc1)c1ccccc1)n1[n]2c(cc1c1ccccc1)c1ccccc1)c(cc4c1ccccc1)c1ccccc1)[n]1ccccc1Nc1[n]3cccc1.[Br-].C(Cl)Cl
• Title of publication: (Di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')[hydrotris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II) bromide dichloromethane monosolvate
• Authors of publication: Harding, David J.; Harding, Phimphaka; Adams, Harry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m477 - m478
• a: 10.3263 ± 0.0013 Å
• b: 13.904 ± 0.0016 Å
• c: 17.622 ± 0.002 Å
• α: 91.314 ± 0.006°
• β: 99.245 ± 0.006°
• γ: 101.968 ± 0.006°
• Cell volume: 2438.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes