Information card for entry 4074292

Structure parameters

• Formula: C30 H39 Mo2 O2 P
• Calculated formula: C30 H39 Mo2 O2 P
• SMILES: [Mo]1234567([Mo]89%10%11([P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)([cH]1[cH]8[cH]9[cH]%10[cH]%111)(C6=O)C7=O)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers
• Authors of publication: Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4857
• a: 8.0711 ± 0.0009 Å
• b: 10.0012 ± 0.0011 Å
• c: 19.182 ± 0.002 Å
• α: 86.711 ± 0.002°
• β: 85.086 ± 0.002°
• γ: 68.912 ± 0.002°
• Cell volume: 1438.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No