Information card for entry 4310612

Structure parameters

• Formula: C31.5 H45 Mo N O4
• Calculated formula: C29 H39 Mo N O4
• SMILES: [Mo](=O)(=O)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• Title of publication: Steric Control of Coordination Number: A Series of Mo(VI) Dioxo Diaryloxide Complexes Bearing 4-, 5-, and 6-Coordinate Environments
• Authors of publication: Tracy A. Hanna; Amit K. Ghosh; Catalina Ibarra; Miguel A. Mendez-Rojas; Arnold L. Rheingold; William H. Watson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1511 - 1516
• a: 12.8628 ± 0.0013 Å
• b: 11.0536 ± 0.0011 Å
• c: 23.076 ± 0.002 Å
• α: 90°
• β: 105.161 ± 0.002°
• γ: 90°
• Cell volume: 3166.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.306
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No