Information card for entry 7010139

Structure parameters

• Chemical name: [Mo Cl2 (N C6 H4 CMe3-2)2(dme)]
• Formula: C24 H36 Cl2 Mo N2 O2
• Calculated formula: C24 H36 Cl2 Mo N2 O2
• SMILES: [Mo]1(Cl)(Cl)([O](C)CC[O]1C)(=Nc1ccccc1C(C)(C)C)=Nc1ccccc1C(C)(C)C
• Title of publication: Regiospecific influences of phenyl ring substituents in monoimido complexes of tantalum and tungsten and bis imido complexes of molybdenum
• Authors of publication: Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.; Waters, Joyce M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4569
• a: 8.7929 ± 0.0001 Å
• b: 16.8765 ± 0.0001 Å
• c: 18.3315 ± 0.0002 Å
• α: 76.505 ± 0.001°
• β: 88.259 ± 0.001°
• γ: 86.306 ± 0.001°
• Cell volume: 2639.34 ± 0.05 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No