Information card for entry 7035049

Structure parameters

• Formula: C36 H50 N2 O2 S2 W
• Calculated formula: C36 H50 N2 O2 S2 W
• SMILES: [W]123(=S)(=S)Oc4c(cc(cc4C[N]2(Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)Cc1cccc[n]31)C(C)(C)C)C(C)(C)C
• Title of publication: Aminobisphenolate supported tungsten disulphido and dithiolene complexes.
• Authors of publication: Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9409 - 9416
• a: 13.4235 ± 0.0003 Å
• b: 15.4757 ± 0.0004 Å
• c: 21.8073 ± 0.0005 Å
• α: 70.977 ± 0.001°
• β: 78.026 ± 0.001°
• γ: 67.03 ± 0.001°
• Cell volume: 3926.41 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No