Information card for entry 7010822

Structure parameters

• Formula: C31 H26 Mo N2 O5 P2
• Calculated formula: C31 H26 Mo N2 O5 P2
• SMILES: [Mo]1(C#[O])(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)N(C)C(=O)N(C)[P]1(c1ccccc1)c1ccccc1
• Title of publication: The preparation and coordination chemistry of phosphorus(iii) derivatives of dialkyl ureas and thioureas
• Authors of publication: Slawin, Alexandra M. Z.; Wainwright, Matthew; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2724
• a: 12.0547 ± 0.0001 Å
• b: 17.0186 ± 0.0002 Å
• c: 14.662 Å
• α: 90°
• β: 94.485 ± 0.001°
• γ: 90°
• Cell volume: 2998.76 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.0609
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for significantly intense reflections: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No