Information card for entry 2228704

Structure parameters

• Chemical name: Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol- 2-ylidene]dichloridodinitrosyltungsten(II) tetrahydrofuran-<i>d</i>~8~ monosolvate
• Formula: C46 H48 Cl2 D8 N6 O3 W
• Calculated formula: C46 H48 Cl2 D8 N6 O3 W
• SMILES: [W](Cl)(Cl)(N=O)(N=O)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
• Title of publication: Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene]dichloridodinitrosyltungsten(II) tetrahydrofuran-<i>d</i>~8~ monosolvate
• Authors of publication: Fraga-Hernández, Javier; Blacque, Olivier; Berke, Heinz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m31
• a: 11.3861 ± 0.0007 Å
• b: 13.0517 ± 0.0009 Å
• c: 17.0448 ± 0.0011 Å
• α: 81.245 ± 0.008°
• β: 72.473 ± 0.007°
• γ: 68.983 ± 0.007°
• Cell volume: 2251.9 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes