Information card for entry 4313030

Structure parameters

• Formula: C39 H41 B Mo N6 O2
• Calculated formula: C39 H41 B Mo N6 O2
• 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: 9.5893 ± 0.0009 Å
• b: 10.2418 ± 0.001 Å
• c: 37.887 ± 0.003 Å
• α: 90°
• β: 94.997 ± 0.002°
• γ: 90°
• Cell volume: 3706.8 ± 0.6 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No