Information card for entry 7009845

Structure parameters

• Formula: C22 H32 Cl2 Mo N2 O2
• Calculated formula: C22 H32 Cl2 Mo N2 O2
• SMILES: [Mo]1(Cl)(Cl)(=Nc2c(cc(cc2C)C)C)(=Nc2c(cc(cc2C)C)C)[O](C)CC[O]1C
• Title of publication: Steric versus electronic effects in six-co-ordinate d0 cis-bis(imido) molybdenum complexes †
• Authors of publication: del Río, Diego; Montilla, Francisco; Pastor, Antonio; Galindo, Agustín; Monge, Angeles; Gutiérrez-Puebla, Enrique
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2433
• a: 15.5279 ± 0.0011 Å
• b: 14.2292 ± 0.001 Å
• c: 21.811 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4819.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0606
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No