Information card for entry 7006864

Structure parameters

• Formula: C36 H57 Mo N3 O S3 Si2
• Calculated formula: C36 H57 Mo N3 O S3 Si2
• SMILES: [Mo]1(O[Si](C)(C)C)(=Nc2c(SC(C)(C)C)cccc2)(=Nc2c(SC(C)(C)C)cccc2)[S](c2c(N1[Si](C)(C)C)cccc2)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: 11.834 ± 0.002 Å
• b: 12.365 ± 0.003 Å
• c: 15.082 ± 0.003 Å
• α: 78.65 ± 0.03°
• β: 76.75 ± 0.03°
• γ: 76.53 ± 0.03°
• Cell volume: 2065 ± 0.8 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: 0.022
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No