Information card for entry 7006863

Structure parameters

• Formula: C26 H44 N2 O2 S2 Si2 W
• Calculated formula: C26 H44 N2 O2 S2 Si2 W
• SMILES: [S]1([W]2(=O)(N([Si](C)(C)C)c3c1cccc3)([S](c1c(N2[Si](C)(C)C)cccc1)C(C)(C)C)=O)C(C)(C)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: 9.61 ± 0.002 Å
• b: 12.01 ± 0.002 Å
• c: 13.775 ± 0.003 Å
• α: 85.31 ± 0.03°
• β: 82.58 ± 0.03°
• γ: 88.53 ± 0.03°
• Cell volume: 1571.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No