Information card for entry 7054566

Structure parameters

• Formula: C30 H32 Br Cl2 Cu N6
• Calculated formula: C30 H32 Br Cl2 Cu N6
• SMILES: Cc1cc(C)n2CN3c4cccc5c4c(ccc5)N(C3c3ccccc3)Cn3c(C)cc(C)[n]3[Cu]([n]12)Br.C(Cl)Cl
• Title of publication: Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes
• Authors of publication: Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 1260
• a: 13.3142 ± 0.0003 Å
• b: 15.6092 ± 0.0003 Å
• c: 14.3394 ± 0.0004 Å
• α: 90°
• β: 98.779 ± 0.001°
• γ: 90°
• Cell volume: 2945.16 ± 0.12 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: 0.0859
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No