Information card for entry 4312088

Structure parameters

• Formula: C23 H29 Cl3 Mo N4 O3
• Calculated formula: C23 H34 Cl3 Mo N4 O3
• Title of publication: A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes
• Authors of publication: Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7800 - 7806
• a: 27.7 ± 0.003 Å
• b: 27.7 ± 0.003 Å
• c: 9.143 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6075.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.1266
• Goodness-of-fit parameter for all reflections: 0.988
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No