Information card for entry 4312296

Structure parameters

• Formula: C28 H14 Br Cu F12 N4 O
• Calculated formula: C28 H14 Br Cu F12 N4 O
• Title of publication: Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties
• Authors of publication: Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8282 - 8289
• a: 8.852 ± 0.0003 Å
• b: 12.4188 ± 0.0004 Å
• c: 13.1541 ± 0.0005 Å
• α: 73.257 ± 0.002°
• β: 83.336 ± 0.002°
• γ: 89.079 ± 0.002°
• Cell volume: 1375.16 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No