Information card for entry 4342796

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]2c3c(oc2c2[n]1c1c(cc2)cccc1)cccc3.[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: 11.731 ± 0.0005 Å
• b: 35.0321 ± 0.0013 Å
• c: 11.4006 ± 0.0006 Å
• α: 90°
• β: 98.19 ± 0.004°
• γ: 90°
• Cell volume: 4637.4 ± 0.4 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: 0.077
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No