Information card for entry 4345027

Structure parameters

• Formula: C20 H20 Cl N2 O5 Re
• Calculated formula: C20 H20 Cl N2 O5 Re
• Title of publication: Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.
• Authors of publication: Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1757 - 1769
• a: 11.2324 ± 0.0004 Å
• b: 11.2324 ± 0.0004 Å
• c: 27.4564 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3000 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No