Information card for entry 7219358

Structure parameters

• Formula: C16 H11 Cl2 N2 O2 Re
• Calculated formula: C16 H11 Cl2 N2 O2 Re
• SMILES: c12ccccc1C=[N]1c3cccc4ccc[n](c34)[Re]1(Cl)(Cl)(=O)O2
• Title of publication: Synthesis, Characterization and DFT Study of Oxorhenium(V) Complexes Incorporating Quinoline Based Tridentate Ligands
• Authors of publication: Sarkar, Rupa; Hens, Amar; Rajak, Kajal Krishna
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.221 ± 0.0001 Å
• b: 9.5214 ± 0.0002 Å
• c: 12.2908 ± 0.0002 Å
• α: 74.277 ± 0.001°
• β: 84.604 ± 0.001°
• γ: 68.143 ± 0.001°
• Cell volume: 754.93 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No