Information card for entry 7024804

Structure parameters

• Formula: C28 H38 Mo2 N2 O
• Calculated formula: C28 H38 Mo2 N2 O
• SMILES: [cH]12[Mo]345(=NC(C)(C)C)(C6C=CC=C6)([cH]([cH]25)[cH]3[cH]14)O[Mo]1234(C5C=CC=C5)([cH]5[cH]4[cH]3[cH]2[cH]15)=NC(C)(C)C
• Title of publication: Oxygen-atom transfer to a nucleophilic molybdenum complex.
• Authors of publication: Askari, Mohammad S.; Ottenwaelder, Xavier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2644 - 2650
• a: 10.6763 ± 0.0002 Å
• b: 8.2508 ± 0.0002 Å
• c: 15.6115 ± 0.0003 Å
• α: 90°
• β: 90.909 ± 0.001°
• γ: 90°
• Cell volume: 1375.01 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0247
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No