Information card for entry 7711759

Structure parameters

• Formula: C60 H78 Cl4 Mo N4
• Calculated formula: C60 H78 Cl4 Mo N4
• Title of publication: N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)
• Authors of publication: Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 47.2641 ± 0.0003 Å
• b: 47.2641 ± 0.0003 Å
• c: 14.0081 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27100.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No