Information card for entry 4339586

Structure parameters

• Formula: C17 H16 Br N2 O3.5 Re
• Calculated formula: C17 H16 Br N2 O3.5 Re
• Title of publication: A thallium mediated route to sigma-arylalkynyl complexes of bipyridyltricarbonylrhenium(I).
• Authors of publication: Liddle, Brendan J.; Lindeman, Sergey V.; Reger, Daniel L.; Gardinier, James R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8484 - 8486
• a: 8.2628 ± 0.0002 Å
• b: 9.5792 ± 0.0002 Å
• c: 11.4401 ± 0.0002 Å
• α: 79.785 ± 0.001°
• β: 88.952 ± 0.001°
• γ: 87.271 ± 0.001°
• Cell volume: 890.09 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No