Information card for entry 7035048

Structure parameters

• Formula: C44 H60 N2 O6 S2 W
• Calculated formula: C44 H60 N2 O6 S2 W
• SMILES: [W]1234(SC(C(=O)OCC)=C(S1)C(=O)OCC)Oc1c(cc(cc1C[N]3(Cc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)Cc1[n]4cccc1)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: 10.06798 ± 0.00012 Å
• b: 16.8748 ± 0.0002 Å
• c: 26.8615 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4563.64 ± 0.1 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No