Information card for entry 7110721

Structure parameters

• Formula: C42 H46 Cl2 Mo N2 O4
• Calculated formula: C42 H46 Cl2 Mo N2 O4
• SMILES: [Mo]12(Cl)(Cl)(=NC([C@@H]3OC(O[C@H]3C(N=1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)[O](C)CC[O]2C.c1(ccccc1)C
• Title of publication: The first chiral diimido chelate complexes of molybdenum and tungsten: transition metal diimido complexes on the way to asymmetric catalysis
• Authors of publication: A. Kretzschmar, Eike; Kipke, Jennifer; Sundermeyer, Jörg
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2381
• a: 10.5718 ± 0.0014 Å
• b: 14.8923 ± 0.0014 Å
• c: 12.5186 ± 0.0011 Å
• α: 90 ± 0.008°
• β: 91.504 ± 0.01°
• γ: 90 ± 0.012°
• Cell volume: 1970.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No