Information card for entry 4066574

Structure parameters

• Formula: C34 H41 Fe Mo2 O6 P
• Calculated formula: C34 H41 Fe Mo2 O6 P
• SMILES: [Mo]123456789([PH]([Fe](C#[O])(C#[O])(C#[O])C#[O])[Mo]%10%11%12%13(C#[O])(C#[O])[cH]%14[cH]%10[cH]%13[cH]%12[cH]%11%14)([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[c]1([cH]5[c]6([cH]7[c]8([cH]91)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 10.564 ± 0.0004 Å
• b: 12.8368 ± 0.0005 Å
• c: 14.7378 ± 0.0006 Å
• α: 98.973 ± 0.002°
• β: 98.225 ± 0.002°
• γ: 108.721 ± 0.002°
• Cell volume: 1829.39 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No