Information card for entry 4337621

Structure parameters

• Formula: C76 H60 Br4 Cl6 Cu2 N4 O8 P4
• Calculated formula: C76 H60 Br4 Cl6 Cu2 N4 O8 P4
• SMILES: Cl(=O)(=O)(=O)[O-].[Cu]12([P](c3ccccc3)(c3ccccc3)C[P]([Cu]3([n]4cc(Br)cc5ccc6cc(Br)c[n]3c6c45)[P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(Br)cc3ccc4cc(Br)c[n]2c4c13.Cl(=O)(=O)(=O)[O-].ClCCl.ClCCl
• 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: 23.5057 ± 0.0016 Å
• b: 13.567 ± 0.001 Å
• c: 24.8584 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7927.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No