Information card for entry 2230569

Structure parameters

• Chemical name: Bis[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)borato]cobalt(II)
• Formula: C20 H32 B2 Co N8
• Calculated formula: C20 H32 B2 Co N8
• SMILES: [Co]12([n]3n(c(C)cc3C)[BH2]n3[n]1c(cc3C)C)[n]1n(c(cc1C)C)[BH2]n1[n]2c(cc1C)C
• Title of publication: Bis[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)borato]cobalt(II)
• Authors of publication: Hossaini Sadr, Moayad; Soltani, Behzad; Engle, James T.; Ziegler, Christopher J.; Taheri, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m866
• a: 8.351 ± 0.005 Å
• b: 14.012 ± 0.009 Å
• c: 19.833 ± 0.013 Å
• α: 90°
• β: 93.281 ± 0.007°
• γ: 90°
• Cell volume: 2317 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0682
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes