Information card for entry 7035050

Structure parameters

• Formula: C34 H53 Cl2 N O3 S2 W
• Calculated formula: C34 H53 Cl2 N O3 S2 W
• SMILES: [W]123(=S)(=S)Oc4c(cc(cc4C[N]3(Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CC[O]2C)C(C)(C)C)C(C)(C)C.ClCCl
• 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: 14.9889 ± 0.0002 Å
• b: 17.3185 ± 0.0003 Å
• c: 28.4713 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7390.73 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No