Information card for entry 4074264

Structure parameters

• Formula: C42 H49 Mo2 O2 P Sn
• Calculated formula: C42 H49 Mo2 O2 P Sn
• SMILES: [Sn]([Mo]12345([Mo]6789([PH](C%10CCCCC%10)C%10CCCCC%10)(C#[O])([cH]%10[cH]7[cH]8[cH]9[cH]6%10)[H]1)(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dimolybdenum−Tin Derivatives of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] and HSnR3(R = Ph, Bu): Bridging versus Terminal Coordination of the Triorganostannyl Group
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5374
• a: 11.427 ± 0.002 Å
• b: 18.567 ± 0.003 Å
• c: 18.542 ± 0.003 Å
• α: 90°
• β: 105.488 ± 0.003°
• γ: 90°
• Cell volume: 3791.1 ± 1.1 ų
• Cell temperature: 120 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No