Information card for entry 7013740

Structure parameters

• Formula: C66 H56 B2 Co N10
• Calculated formula: C66 H56 B2 Co N10
• SMILES: [Co]123([n]4n([BH](n5[n]1c(cc5)C(c1ccccc1)c1ccccc1)n1[n]2c(cc1)C(c1ccccc1)c1ccccc1)ccc4C(c1ccccc1)c1ccccc1)[n]1n([B](n2[n]3ccc2)(c2ccccc2)c2ccccc2)ccc1
• Title of publication: The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.
• Authors of publication: Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 598 - 604
• a: 21.3406 ± 0.0012 Å
• b: 19.9743 ± 0.0012 Å
• c: 26.1887 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11163.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No