Information card for entry 4070694

Structure parameters

• Formula: C27 H41 F12 Mo N8 P2
• Calculated formula: C27 H41 F12 Mo N8 P2
• SMILES: [Mo]1234567([N](CC[N]1=c1n(c(c(n1C)C)C)C)=c1n(c(c(n1C)C)C)C)([N]#CC)[CH]1=[CH]7C6[CH]5=[CH]4[CH]3=[CH]21.N#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands
• Authors of publication: Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 778
• a: 11.5973 ± 0.0014 Å
• b: 12.5314 ± 0.0014 Å
• c: 14.8528 ± 0.0018 Å
• α: 65.387 ± 0.003°
• β: 70.003 ± 0.003°
• γ: 66.079 ± 0.003°
• Cell volume: 1754.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No