Information card for entry 7011647

Structure parameters

• Formula: C36.5 H37 Cl F6 Mo N O P2
• Calculated formula: C36.5 H37 Cl F6 Mo N O 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: 11.0924 ± 0.0002 Å
• b: 21.8354 ± 0.0004 Å
• c: 14.7699 ± 0.0003 Å
• α: 90°
• β: 102.727 ± 0.0008°
• γ: 90°
• Cell volume: 3489.47 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No