Information card for entry 7110935

Structure parameters

• Chemical name: Tricarbonyl(dicloro){O,C-[methoxy(o-methoxyphenyl)carbene]}tungsten
• Formula: C13 H12 Cl4 O5 W
• Calculated formula: C13 H12 Cl4 O5 W
• SMILES: [W]1(Cl)(Cl)(C#[O])(C#[O])(C#[O])=C(OC)c2ccccc2[O]1C.C(Cl)Cl
• Title of publication: Novel hepta-coordinated molybdenum(ii) and tungsten(ii) carbene complexes by oxidative decarbonylation of Mo(0) and W(0) carbene complexes
• Authors of publication: Jaeger, Monika; Stumpf, Rüdiger; Troll, Carsten; Fischer, Helmut
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 931
• a: 9.567 ± 0.006 Å
• b: 11.994 ± 0.006 Å
• c: 15.986 ± 0.005 Å
• α: 90°
• β: 100.57 ± 0.04°
• γ: 90°
• Cell volume: 1803.2 ± 1.6 ų
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No