Information card for entry 4073801

Structure parameters

• Formula: C30 H39 Mo2 O6 P
• Calculated formula: C30 H39 Mo2 O6 P
• SMILES: [Mo]123456([P](C7CCCCC7)(C7CCCCC7)[Mo]789%10%11([O]=C([CH]1=[C]38C(=O)OC)OC)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]71)(C#[O])[cH]1[cH]4[cH]5[cH]6[cH]21
• Title of publication: Alkenyl Derivatives of the Unsaturated Dimolybdenum Hydride Complex [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2]
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5454
• a: 11.1386 ± 0.0002 Å
• b: 14.9749 ± 0.0003 Å
• c: 19.9107 ± 0.0005 Å
• α: 90°
• β: 117.795 ± 0.001°
• γ: 90°
• Cell volume: 2937.91 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No