Information card for entry 4338985

Structure parameters

• Formula: C66 H63 Mo N9 O3 P6
• Calculated formula: C66 H63 Mo N9 O3 P6
• SMILES: [Mo]([P]12CN([P](N(C1)c1ccccc1)N(C2)c1ccccc1)c1ccccc1)([P]12CN([P](N(C1)c1ccccc1)N(C2)c1ccccc1)c1ccccc1)([P]12CN([P](N(C1)c1ccccc1)N(C2)c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Comparisons of phosphorus ligation properties in P(CH2NR)3P.
• Authors of publication: Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9351 - 9363
• a: 13.7683 ± 0.0007 Å
• b: 16.2735 ± 0.0008 Å
• c: 16.87 ± 0.0008 Å
• α: 78.9063 ± 0.001°
• β: 89.324 ± 0.001°
• γ: 87.458 ± 0.001°
• Cell volume: 3705.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No