Information card for entry 4505176

Structure parameters

• Formula: C35 H37 Cl3 Mo O2 P2
• Calculated formula: C35 H37 Cl3 Mo O2 P2
• SMILES: [Mo]123(Cl)([P]([C@H]([C@@H]([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1)(C[CH]2=[CH]3C)(C#[O])C#[O].ClCCl
• Title of publication: Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†
• Authors of publication: Faller, J. W.; Sarantopoulos, Nikos
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2356
• a: 9.8187 ± 0.0006 Å
• b: 16.4878 ± 0.0007 Å
• c: 11.0874 ± 0.0007 Å
• α: 90°
• β: 107.278 ± 0.002°
• γ: 90°
• Cell volume: 1713.93 ± 0.17 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 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: 0.072
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No