Information card for entry 4073799

Structure parameters

• Formula: C28 H37 Mo2 O4 P
• Calculated formula: C28 H37 Mo2 O4 P
• SMILES: C1(=O)[Mo]234567(C(=O)[Mo]89%10%11%1217([cH]1[cH]8[cH]9[cH]%10[cH]%121)[CH](=[CH]%11C(=O)OC)[P]6(C1CCCCC1)C1CCCCC1)[cH]1[cH]5[cH]4[cH]3[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: 10.128 ± 0.005 Å
• b: 10.219 ± 0.005 Å
• c: 14.175 ± 0.008 Å
• α: 84.4 ± 0.02°
• β: 72.77 ± 0.02°
• γ: 77.58 ± 0.02°
• Cell volume: 1367.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No