Information card for entry 4089177

Structure parameters

• Formula: C70 H54 B Cl2 F27 Mo N4 O3 S
• Calculated formula: C70 H54 B Cl2 F27 Mo N4 O3 S
• Title of publication: Molybdenum Imido Alkylidene Complexes Containing N- and C-Chelating N-Heterocyclic Carbenes
• Authors of publication: Elser, Iris; Frey, Wolfgang; Wurst, Klaus; Buchmeiser, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 24
• Pages of publication: 4106
• a: 10.0581 ± 0.0006 Å
• b: 17.0305 ± 0.0008 Å
• c: 21.8889 ± 0.0012 Å
• α: 77.026 ± 0.003°
• β: 86.625 ± 0.004°
• γ: 80.441 ± 0.003°
• Cell volume: 3602.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No