Information card for entry 4073963

Structure parameters

• Formula: C23 H15 Mo O8 P
• Calculated formula: C23 H15 Mo O8 P
• SMILES: [Mo]([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: What is the Real Steric Impact of Triphenylphosphite? Solid-State and Solution Structural Studies ofcis- andtrans-Isomers of M(CO)4[P(OPh)3]2(M = Mo and W)
• Authors of publication: Darensbourg, Donald J.; Andreatta, Jeremy R.; Stranahan, Sarah M.; Reibenspies, Joseph H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 27
• Pages of publication: 6832
• a: 9.505 ± 0.004 Å
• b: 11.103 ± 0.004 Å
• c: 11.161 ± 0.004 Å
• α: 105.927 ± 0.006°
• β: 94.806 ± 0.006°
• γ: 98.846 ± 0.006°
• Cell volume: 1109.3 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No