Information card for entry 7013742

Structure parameters

• Formula: C57 H50 B2 Co N12
• Calculated formula: C57 H50 B2 Co N12
• SMILES: [Co]1234([n]5n([BH](n6[n]1c(cc6)C(c1ccccc1)c1ccccc1)n1[n]2c(cc1)C(c1ccccc1)c1ccccc1)ccc5C(c1ccccc1)c1ccccc1)[n]1n([BH](n2[n]3ccc2)n2[n]4ccc2)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: 13.6043 ± 0.0014 Å
• b: 21.828 ± 0.002 Å
• c: 16.7262 ± 0.0018 Å
• α: 90°
• β: 99.11 ± 0.002°
• γ: 90°
• Cell volume: 4904.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No