Information card for entry 4337619

Structure parameters

• Formula: C84 H76 Br4 Cl10 Cu2 N4 O8 P4
• Calculated formula: C84 H76 Br4 Cl10 Cu2 N4 O8 P4
• SMILES: [O-]Cl(=O)(=O)=O.Brc1cc2ccc3cc(Br)c[n]4c3c2[n](c1)[Cu]14[P](c2ccccc2)(c2ccccc2)CCCC[P](c2ccccc2)(c2ccccc2)[Cu]2([n]3cc(Br)cc4ccc5cc(Br)c[n]2c5c34)[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1.C(Cl)Cl.ClCCl.[O-]Cl(=O)(=O)=O.C(Cl)Cl.C(Cl)Cl
• Title of publication: Aggregation-induced emissive copper(i) complexes for living cell imaging.
• Authors of publication: Xin, Xue-Lian; Chen, Min; Ai, Yu-Bo; Yang, Feng-Lei; Li, Xiu-Ling; Li, Fuyou
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2922 - 2931
• a: 15.2947 ± 0.0003 Å
• b: 18.9245 ± 0.0004 Å
• c: 21.5573 ± 0.0004 Å
• α: 90°
• β: 133.5 ± 0.001°
• γ: 90°
• Cell volume: 4526.08 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No