Information card for entry 4310492

Structure parameters

• Chemical name: Nitrosyl-bis(dimethylphosphinoethane)-N-phenylbenzylamine- molybdenum
• Formula: C25 H44 Mo N2 O P4
• Calculated formula: C25 H44 Mo N2 O P4
• SMILES: [Mo]12([P](CC[P]1(C)C)(C)C)([P](CC[P]2(C)C)(C)C)(N=O)N(Cc1ccccc1)c1ccccc1
• Title of publication: Insertion Reactions of trans-Mo(dmpe)2(H)(NO) with Imines
• Authors of publication: Fupei Liang; Helmut W. Schmalle; Heinz Berke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 993 - 999
• a: 9.1592 ± 0.0006 Å
• b: 15.9501 ± 0.0007 Å
• c: 20.6001 ± 0.0013 Å
• α: 90°
• β: 96.615 ± 0.008°
• γ: 90°
• Cell volume: 2989.4 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No