Information card for entry 7711767

Structure parameters

• Formula: C60 H78 Cl4 N4 W
• Calculated formula: C60 H78 Cl4 N4 W
• SMILES: [W](Cl)(Cl)(Cl)(Cl)(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C.c1ccccc1
• 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: 47.1426 ± 0.0004 Å
• b: 47.1426 ± 0.0004 Å
• c: 13.966 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26880 ± 0.4 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: 0.024
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No