Information card for entry 7011646

Structure parameters

• Formula: C47 H39 Mo O2 P2
• Calculated formula: C47 H39 Mo O2 P2
• Title of publication: Synthesis of η6-arene complexes of molybdenum containing β-ketophosphine and related P,O mixed donor ligands
• Authors of publication: Jones, Neale G.; Green, Malcolm L. H.; Vei, Ino C.; Rees, Leigh H.; Pascu, Sofia I.; Watkin, David; Cowley, Andrew; Morise, Xavier; Braunstein, Pierre
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2491
• a: 12.512 ± 0.0003 Å
• b: 14.77 ± 0.0003 Å
• c: 20.258 ± 0.0003 Å
• α: 90°
• β: 95.413 ± 0.001°
• γ: 90°
• Cell volume: 3727.03 ± 0.13 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0579
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No