Information card for entry 7015286

Structure parameters

• Formula: C27 H31 Cl3 N2 O W
• Calculated formula: C27 H31 Cl3 N2 O W
• SMILES: [W]1(Cl)(Cl)(Cl)(=Nc2ccccc2)[N](=Cc2c(O1)c(cc(C(C)(C)C)c2)C(C)(C)C)c1ccccc1
• Title of publication: Imidotungsten(VI) complexes with chelating amino and imino phenolates.
• Authors of publication: Hänninen, Mikko M; Sillanpää, Reijo; Kivelä, Henri; Lehtonen, Ari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2868 - 2874
• a: 13.78 ± 0.005 Å
• b: 14.203 ± 0.005 Å
• c: 14.757 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.262 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2786.3 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No