Information card for entry 4346795

Structure parameters

• Formula: C40 H57 Cl3 N3 W
• Calculated formula: C40 H57 Cl3 N3 W
• SMILES: [W]1(Cl)(Cl)(Cl)([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Characterization of Paramagnetic Tungsten Imido Complexes Bearing α-Diimine Ligands.
• Authors of publication: Tanahashi, Hiromasa; Ikeda, Hideaki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1446 - 1452
• a: 9.1419 ± 0.0037 Å
• b: 19.2878 ± 0.0078 Å
• c: 22.9034 ± 0.0094 Å
• α: 90°
• β: 99.7606 ± 0.0047°
• γ: 90°
• Cell volume: 3980 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.0701
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No