Information card for entry 4320739

Structure parameters

• Formula: C33 H29 Cl2 N2 O5 Re
• Calculated formula: C33 H29 Cl2 N2 O5 Re
• SMILES: [Re]123([N](=Cc4c(O1)cccc4)[C@@H]1c4ccccc4C[C@@H]1O2)([N](=Cc1c(O3)cccc1)[C@@H]1c2ccccc2C[C@@H]1O)=O.C(Cl)Cl
• 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: 9.5599 ± 0.0016 Å
• b: 9.9579 ± 0.0016 Å
• c: 31.712 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3018.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No