Information card for entry 2004380

Structure parameters

• Chemical name: Dicarbonyl(1,10-phenanthroline)[(1,2,3-η)-2-propenyl]molybdenum Trifluoroacetate
• Formula: C19 H13 F3 Mo N2 O4
• Calculated formula: C19 H13 F3 Mo N2 O4
• SMILES: [Mo]123([n]4cccc5c4c4[n]1cccc4cc5)(C#[O])(C#[O])([CH](=[CH2]2)C3)OC(=O)C(F)(F)F
• Title of publication: (η^3^-Allyl)dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (I), and [<i>syn</i>(1,2,3-η)-2-Butenyl]dicarbonyl(1,10-phenanthroline)(trifluoroacetato)molybdenum, (II)
• Authors of publication: Eriksson, L.; Sjögren, M. P. T.; Åkermark, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 77 - 80
• a: 8.848 ± 0.004 Å
• b: 10.77 ± 0.005 Å
• c: 11.335 ± 0.006 Å
• α: 100.27 ± 0.02°
• β: 101.96 ± 0.02°
• γ: 113.93 ± 0.02°
• Cell volume: 923.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.0715
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.072
• Diffraction radiation wavelength: 0.7106 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No