Information card for entry 4342798

Structure parameters

• Formula: C52 H40 Cu F6 N2 O P3
• Calculated formula: C52 H40 Cu F6 N2 O P3
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(oc3c2cccc3)c2[n]1c1ccccc1cc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Three reversible polymorphic copper(i) complexes triggered by ligand conformation: insights into polymorphic crystal habit and luminescent properties.
• Authors of publication: Chai, Wenxiang; Hong, Mingwei; Song, Li; Jia, Guohua; Shi, Hongsheng; Guo, Jiayu; Shu, Kangying; Guo, Bing; Zhang, Yicheng; You, Wenwu; Chen, Xueyuan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4200 - 4207
• a: 14.6421 ± 0.0004 Å
• b: 15.393 ± 0.0004 Å
• c: 20.1585 ± 0.0006 Å
• α: 90°
• β: 98.68 ± 0.003°
• γ: 90°
• Cell volume: 4491.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No