Information card for entry 7006862

Structure parameters

• Formula: C29 H40 Cl Mo N3 S Si
• Calculated formula: C29 H40 Cl Mo N3 S Si
• SMILES: [Mo]1(Cl)([S](c2c(N1[Si](C)(C)C)cccc2)C(C)(C)C)(=Nc1c(cccc1C)C)=Nc1c(cccc1C)C
• Title of publication: Dioxomolybdenum(VI) and dioxotungsten(VI) complexes supported by an amido ligand.
• Authors of publication: Lyashenko, Ganna; Jancik, Vojtech; Pal, Aritra; Herbst-Irmer, Regine; Mösch-Zanetti, Nadia C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 10
• Pages of publication: 1294 - 1301
• a: 8.982 ± 0.002 Å
• b: 20.696 ± 0.003 Å
• c: 16.862 ± 0.003 Å
• α: 90°
• β: 101.65 ± 0.02°
• γ: 90°
• Cell volume: 3069.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No