Information card for entry 4078031

Structure parameters

• Formula: C45 H39 O5 P3 W
• Calculated formula: C45 H39 O5 P3 W
• SMILES: C(#[O])[W]1(C#[O])(C#[O])(C#[O])[P](c2ccccc2)(c2ccccc2)CC(C[P]1(c1ccccc1)c1ccccc1)(CP(=O)(c1ccccc1)c1ccccc1)C
• Title of publication: Photochemically Generated Transients from κ2- and κ3-Triphos Derivatives of Group 6 Metal Carbonyls and Their Reactivity with Olefins
• Authors of publication: Kyran, Samuel J.; Muhammad, Sohail; Knestrick, Matthew; Bengali, Ashfaq A.; Darensbourg, Donald J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3163
• a: 9.711 ± 0.008 Å
• b: 9.862 ± 0.008 Å
• c: 21.302 ± 0.018 Å
• α: 83.024 ± 0.01°
• β: 76.924 ± 0.01°
• γ: 82.917 ± 0.01°
• Cell volume: 1963 ± 3 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: 0.0957
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No