Information card for entry 4066573

Structure parameters

• Formula: C34 H39 Fe Mo2 O6 P
• Calculated formula: C34 H39 Fe Mo2 O6 P
• SMILES: [Mo]1234([P]5([Fe](C#[O])(C#[O])(C#[O])C#[O])[Mo]6789%10%11%12%13%14([c]%155[cH]6[cH]7[cH]8[cH]9%15)[cH]5[c]%10([cH]%11[c]%12([cH]%13[c]%145C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]4[cH]3[cH]25
• 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: 12.401 ± 0.0002 Å
• b: 14.8569 ± 0.0003 Å
• c: 20.2993 ± 0.0005 Å
• α: 90°
• β: 116.633 ± 0.002°
• γ: 90°
• Cell volume: 3343.13 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0343
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No