Information card for entry 7012708

Structure parameters

• Formula: C22 H32 Cl3 Mo3 N O6 P2
• Calculated formula: C22 H32 Cl3 Mo3 N O6 P2
• SMILES: [Mo]1234(C#[O])(C#[O])([CH](=[CH2]1)C2)[Cl][Mo]12([Cl]3)([Cl]4)(C#[O])(C#[O])[CH2]=[CH]1C2.[Mo]123(C#[O])([CH](=[CH2]1)C2)([P](C)(C)C[P]3(C)C)([N]#CC)C#[O]
• 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: 9.6225 ± 0.0004 Å
• b: 16.2346 ± 0.0007 Å
• c: 21.4232 ± 0.0007 Å
• α: 90°
• β: 93.951 ± 0.002°
• γ: 90°
• Cell volume: 3338.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No