Information card for entry 7010962

Structure parameters

• Formula: C25 H31 F6 Mo N O2 P2
• Calculated formula: C25 H31 F6 Mo N O2 P2
• SMILES: [Mo]12345678([CH2]=[CH]1C2)([cH]1[cH]7[cH]6[cH]5[cH]4[cH]31)[P](c1ccccc1)(c1ccccc1)NC(C)=[O]8.CCO.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of molybdenum arene complexes containing amide-derived heterodifunctional P,O ligands
• Authors of publication: Neale G. Jones; Malcolm L. H. Green; Ino Vei; Andrew Cowley; Xavier Morise; Pierre Braunstein
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1487 - 1493
• a: 10.8978 ± 0.0002 Å
• b: 18.1501 ± 0.0003 Å
• c: 14.0945 ± 0.0003 Å
• α: 90°
• β: 104.229 ± 0.0006°
• γ: 90°
• Cell volume: 2702.3 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No