Information card for entry 4312299

Structure parameters

• Formula: C38.5 H18 B0.25 Cu F13 N4 O4.25 S0.75
• Calculated formula: C38.5 H18 B0.25 Cu F13 N4 O4.25 S0.75
• 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: 16.1323 ± 0.0009 Å
• b: 13.5414 ± 0.0008 Å
• c: 33.1862 ± 0.0019 Å
• α: 90°
• β: 97.876 ± 0.001°
• γ: 90°
• Cell volume: 7181.3 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No