Information card for entry 7000478

Structure parameters

• Formula: C34 H54 Cl Mo N O4
• Calculated formula: C34 H54 Cl Mo N O4
• SMILES: Cl[Mo]1(OC(=[O]1)CC(C)(C)C)(=NC(C)(C)C)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
• Title of publication: Nucleophilic reactivity of a d0 molybdenum oxo moiety
• Authors of publication: Cross, Warren B.; Anderson, James C.; Wilson, Claire S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1201 - 1205
• a: 15.4 ± 0.002 Å
• b: 10.8824 ± 0.0014 Å
• c: 21.642 ± 0.003 Å
• α: 90°
• β: 107.411 ± 0.002°
• γ: 90°
• Cell volume: 3460.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No