Information card for entry 2010935

Structure parameters

• Chemical name: μ-oxo-bis-{oxo[N,N'-2,2-dimethylpropane-1,3- diylbis(salicylideneiminato)]rhenium (V)}
• Formula: C38 H40 N4 O7 Re2
• Calculated formula: C38 H40 N4 O7 Re2
• SMILES: c12ccccc1C=[N]1CC(C[N]3=Cc4ccccc4O[Re]13(O[Re]134([N](=Cc5c(cccc5)O3)CC(C[N]1=Cc1ccccc1O4)(C)C)=O)(=O)O2)(C)C
• Title of publication: μ-Oxo-bis{{2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}oxorhenium(V)}
• Authors of publication: Huang, Wen-Tao; Lo, Jem-Mau; Yao, Hsueh-Hua; Liao, Fen-Ling
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e172 - e173
• a: 11.2427 ± 0.0002 Å
• b: 13.3736 ± 0.0002 Å
• c: 12.4932 ± 0.0002 Å
• α: 90°
• β: 108.109 ± 0.001°
• γ: 90°
• Cell volume: 1785.38 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No