Information card for entry 4313027

Structure parameters

• Formula: C57 H74 B2 Co N12
• Calculated formula: C57 H69 B2 Co N12
• Title of publication: The Effect of a 3-Benzyl Group on the Coordination Chemistry of Homoscorpionate Ligands
• Authors of publication: Arnold L. Rheingold; Lev. N. Zakharov; Swiatoslaw Trofimenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 827 - 833
• a: 39.719 ± 0.005 Å
• b: 46.895 ± 0.007 Å
• c: 12.5159 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23312 ± 6 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No