Information card for entry 7012707

Structure parameters

• Formula: C15 H24 Cl2 Mo2 O4 P2
• Calculated formula: C15 H24 Cl2 Mo2 O4 P2
• SMILES: C(#[O])[Mo]1234(C#[O])([CH2]=[CH]1C2)[P](C)(C)C[P](C)(C)[Mo]12([Cl]3)([Cl]4)(C#[O])(C#[O])[CH2]=[CH]1C2
• Title of publication: Reactivity of the labile complex [MoCl(η3-allyl)(CO)2(NCMe)2] with diphosphanes
• Authors of publication: Pérez, Julio; Morales, Dolores; Riera, Víctor; Rodríguez, Amor; García-Granda, Santiago
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1641
• a: 11.896 ± 0.002 Å
• b: 19.191 ± 0.006 Å
• c: 9.294 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No