Information card for entry 7110642

Structure parameters

• Formula: C16.25 H25.5 Cl1.5 Mo O2 P2
• Calculated formula: C16.25 H25 Cl1.5 Mo O2 P2
• Title of publication: Facile, metal promoted, oxidation of η4-1,3-diphosphacyclobutadiene by water or methanol: synthesis of [MoCl(CO)(η4-1,3-P2C2But2)(η5-L)] (L = C5H5, C5Me5) and [MoCl(CO){η3,λ3,λ5-PC2But2PH(OR)}(η5-L)] (L= C5H5,R = H, Me)
• Authors of publication: Weller, Andrew S.; Andrews, Christopher D.; Burrows, Andrew D.; Green, Michael; Lynam, Jason M.; Mahon, Mary F.; Jones, Cameron
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 2147
• a: 10.067 ± 0.002 Å
• b: 13.036 ± 0.004 Å
• c: 17.169 ± 0.004 Å
• α: 67.9 ± 0.02°
• β: 87.66 ± 0.02°
• γ: 72.6 ± 0.01°
• Cell volume: 1985.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.0741
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No