Information card for entry 2200757

Structure parameters

• Formula: C44 H35 Mo N O3 P2
• Calculated formula: C44 H35 Mo N O3 P2
• SMILES: [Mo](C#[O])(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)[cH]23.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(triphenylphosphine)iminium tricarbonylcyclopentadienylmolybdate
• Authors of publication: Evans, Cameron; Nicholson, Brian K.; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m504 - m505
• a: 14.0385 ± 0.0002 Å
• b: 19.1269 ± 0.0002 Å
• c: 13.8322 ± 0.0001 Å
• α: 90°
• β: 90.728 ± 0.001°
• γ: 90°
• Cell volume: 3713.83 ± 0.07 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No