Information card for entry 4066576

Structure parameters

• Formula: C35 H41 Mo2 O7 P W
• Calculated formula: C35 H41 Mo2 O7 P W
• SMILES: [Mo]1234([PH]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[Mo]56789%10%11%12%13([cH]%14[cH]8[cH]7[cH]6[cH]5%14)[cH]5[c]9([cH]%10[c]%11([cH]%12[c]%135C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]2[cH]3[cH]4[cH]51
• Title of publication: Structure, Bonding, and Reactivity of Binuclear Complexes Having Asymmetric Trigonal Phosphinidene Bridges: Addition of 16-Electron Metal Carbonyl Fragments to the Dimolybdenum Compounds [Mo2Cp(μ-κ1:κ1,η5-PC5H4)(CO)2L] and [Mo2Cp2(μ-PH)(CO)2L] (L = η6-1,3,5-C6H3tBu3)§
• Authors of publication: Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4384
• a: 17.175 ± 0.0006 Å
• b: 9.0235 ± 0.0004 Å
• c: 24.1271 ± 0.0009 Å
• α: 90°
• β: 110.393 ± 0.001°
• γ: 90°
• Cell volume: 3504.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.061
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No