Information card for entry 2206417

Structure parameters

• Chemical name: Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II)
• Formula: C30 H38 B2 Cl6 N12 Ni
• Calculated formula: C30 H38 B2 Cl6 N12 Ni
• SMILES: [BH]12n3[n](c(c(c3C)Cl)C)[Ni]34([n]5c(C)c(c(C)n5[BH](n5c(c(c([n]35)C)Cl)C)n3[n]4c(c(c3C)Cl)C)Cl)([n]3c(c(c(C)n13)Cl)C)[n]1c(c(c(C)n21)Cl)C
• Title of publication: Bis[hydrotris(4-chloro-3,5-dimethylpyrazolyl)borato]nickel(II)
• Authors of publication: Desrochers, Patrick J.; Brown, Josh R.; Arvin, Michael E.; Jones, Gavin D.; Vicic, David A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1455 - m1458
• a: 11.1 ± 0.04 Å
• b: 12.38 ± 0.03 Å
• c: 15.88 ± 0.04 Å
• α: 90.08 ± 0.05°
• β: 102.24 ± 0.05°
• γ: 113.59 ± 0.06°
• Cell volume: 1945 ± 10 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No