Information card for entry 7104953

Structure parameters

• Formula: C30 H32 Cl2 Cu I N6
• Calculated formula: C30 H32 Cl2 Cu I N6
• SMILES: Cc1cc(C)n2CN3c4cccc5c4c(ccc5)N(C3c3ccccc3)Cn3c(C)cc(C)[n]3[Cu](I)[n]12.C(Cl)Cl
• Title of publication: A facile iodide-controlled fluorescent switch based on the interconversion between two- and three-coordinate copper(I) complexes.
• Authors of publication: Chou, Chang-Chuan; Liu, Hsueh-Ju; Hung-Chieh Chao, Lucas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 6382 - 6384
• a: 13.2775 ± 0.0005 Å
• b: 15.5804 ± 0.0006 Å
• c: 14.6968 ± 0.0006 Å
• α: 90°
• β: 99.069 ± 0.001°
• γ: 90°
• Cell volume: 3002.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No