Information card for entry 7711757

Structure parameters

• Formula: C31 H46 Cl4 Mo N2 S
• Calculated formula: C31 H46 Cl4 Mo N2 S
• 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: 11.629 ± 0.0002 Å
• b: 19.3196 ± 0.0002 Å
• c: 16.1826 ± 0.0002 Å
• α: 90°
• β: 105.23 ± 0.002°
• γ: 90°
• Cell volume: 3508.02 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No