Information card for entry 8107614

Structure parameters

• Formula: C15 H12 Br0.18 Cl0.82 N2 O3 Re
• Calculated formula: C15 H12 Br0.184 Cl0.816 N2 O3 Re
• Title of publication: The crystal structure of (bromido, chlorido)-tricarbonyl-(5,5′-dimethyl-2,2′-bipyridine)-rhenium(I), C15H12Br0.2Cl0.8N2O3Re1
• Authors of publication: Moherane, Lehlohonolo; Makhatshwa, Marcus; Malan, Frederick P.; Visser, Hendrik G.; Manicum, Amanda-Lee E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 969 - 971
• a: 14.6713 ± 0.0004 Å
• b: 11.4724 ± 0.0003 Å
• c: 9.6206 ± 0.0003 Å
• α: 90°
• β: 106.592 ± 0.003°
• γ: 90°
• Cell volume: 1551.87 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No