Information card for entry 7035391

Structure parameters

• Formula: C28 H25 Br Cl0 N4 O3 Re
• Calculated formula: C28 H25 Br N4 O4 Re
• Title of publication: Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.
• Authors of publication: Platel, Rachel H.; Coogan, Michael P.; Platts, James A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11700 - 11704
• a: 10.2026 ± 0.0007 Å
• b: 11.8088 ± 0.0008 Å
• c: 13.106 ± 0.0009 Å
• α: 63.263 ± 0.004°
• β: 86.265 ± 0.005°
• γ: 73.684 ± 0.004°
• Cell volume: 1349.94 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No