Information card for entry 4073961

Structure parameters

• Formula: C16 H22 Mo O10 P2
• Calculated formula: C16 H22 Mo O10 P2
• SMILES: C([Mo](C#[O])(C#[O])(C#[O])([P]12OCC(CO1)(CO2)CC)[P]12OCC(CO1)(CO2)CC)#[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: 13.017 ± 0.004 Å
• b: 19.538 ± 0.006 Å
• c: 16.406 ± 0.005 Å
• α: 90°
• β: 99.544 ± 0.005°
• γ: 90°
• Cell volume: 4115 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No