Information card for entry 7012709

Structure parameters

• Formula: C18 H30 Cl2 Mo2 O9 P2
• Calculated formula: C18 H30 Cl2 Mo2 O9 P2
• SMILES: [Mo]1234([Cl][Mo]56([Cl]1)(C#[O])(C#[O])([CH2]=[CH]5C6)[P](O[P]4(OCC)OCC)(OCC)OCC)(C#[O])(C#[O])[CH2]=[CH]2C3
• 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: 10.05 ± 0.007 Å
• b: 11.58 ± 0.009 Å
• c: 23.32 ± 0.011 Å
• α: 90°
• β: 97.82 ± 0.03°
• γ: 90°
• Cell volume: 2689 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No