Information card for entry 4076252

Structure parameters

• Formula: C53 H75 Mo2 N7 O9
• Calculated formula: C53 H75 Mo2 N7 O9
• SMILES: [Mo]12([O]([Mo]([O]1c1ccc(cc1)C#N)([O]2c1ccc(cc1)C#N)(C#[O])(C#[O])C#[O])c1ccc(cc1)C#N)(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• Title of publication: Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]
• Authors of publication: Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1352
• a: 15.089 ± 0.003 Å
• b: 19.2429 ± 0.0015 Å
• c: 19.329 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5612.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No