Information card for entry 2017337

Structure parameters

• Chemical name: [Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydro(pyrazol-1-yl- κ<i>N</i>^2^)borato][(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dihydro(pyrazol- 1-yl-κ<i>N</i>^2^)borato]nickel(II)
• Formula: C21 H30 B2 N10 Ni
• Calculated formula: C21 H30 B2 N10 Ni
• SMILES: [Ni]123([n]4n([BH](n5[n]1ccc5)n1[n]2c(C)cc1C)c(cc4C)C)[n]1n([BH2]n2[n]3c(C)cc2C)ccc1
• Title of publication: [Bis(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydro(pyrazol-1-yl-κ<i>N</i>^2^)borato][(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)dihydro(pyrazol-1-yl-κ<i>N</i>^2^)borato]nickel(II)
• Authors of publication: Vachon, Jason; Schougaard, Steen Brian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m382 - m384
• a: 15.1899 ± 0.0003 Å
• b: 9.8327 ± 0.0002 Å
• c: 17.1131 ± 0.0004 Å
• α: 90°
• β: 100.78 ± 0.001°
• γ: 90°
• Cell volume: 2510.87 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes