Information card for entry 7011644

Structure parameters

• Formula: C30 H30 Cl Mo O P
• Calculated formula: C30 H30 Cl Mo O P
• SMILES: [Mo]1234567(Cl)([P](CC(=O)c8ccccc8)(c8ccccc8)c8ccccc8)([cH]8[cH]5[cH]4[cH]3[c]2([cH]18)C)[CH2]=[CH]6C7
• 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: 25.516 ± 0.002 Å
• b: 9.196 ± 0.004 Å
• c: 23.678 ± 0.002 Å
• α: 90°
• β: 112.973 ± 0.002°
• γ: 90°
• Cell volume: 5115 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No