Information card for entry 4346794

Structure parameters

• Common name: 2
• Formula: C48 H68 Cl12 N4 W4
• Calculated formula: C48 H68 Cl12 N4 W4
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=[W]123([W]4(=Nc5c(C(C)C)cccc5C(C)C)([Cl]1)([Cl]2)([Cl]3)[Cl][W]123(=Nc5c(cccc5C(C)C)C(C)C)([W](=Nc5c(cccc5C(C)C)C(C)C)(Cl)(Cl)([Cl]1)([Cl]2)[Cl]3)[Cl]4)(Cl)Cl
• 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: 17.436 ± 0.006 Å
• b: 15.492 ± 0.005 Å
• c: 11.082 ± 0.004 Å
• α: 90°
• β: 94.61 ± 0.004°
• γ: 90°
• Cell volume: 2983.8 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No