Information card for entry 4074293

Structure parameters

• Formula: C70 H96 Mo4 N2 O4 P2
• Calculated formula: C70 H96 Mo4 N2 O4 P2
• 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: 31.069 ± 0.006 Å
• b: 11.668 ± 0.002 Å
• c: 18.673 ± 0.004 Å
• α: 90°
• β: 92.56 ± 0.03°
• γ: 90°
• Cell volume: 6762 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No