Information card for entry 4320740

Structure parameters

• Formula: C40 H38 N3 O5 Re
• Calculated formula: C40 H38 N3 O5 Re
• SMILES: [Re]123(=Nc4ccccc4)([N]([C@H]4[C@@H](O)Cc5ccccc45)=Cc4ccccc4O1)[N](=Cc1ccccc1O2)[C@H]1[C@@H](O3)Cc2ccccc12.OCC
• Title of publication: Synthesis of Enantiopure Oxorhenium(V) and Arylimidorhenium(V) "3 + 2" Schiff Base Complexes. X-ray Diffraction, Cyclic Voltammetry, UV-Vis, and Circular Dichroism Characterizations
• Authors of publication: Virginie M. Béreau; Saeed I. Khan; Mahdi M. Abu-Omar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6767 - 6773
• a: 9.286 ± 0.003 Å
• b: 18.759 ± 0.006 Å
• c: 9.957 ± 0.003 Å
• α: 90°
• β: 102.817 ± 0.006°
• γ: 90°
• Cell volume: 1691.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No