Information card for entry 7101673

Structure parameters

• Formula: C40 H36 Cl0 Cu2 N8 O6
• Calculated formula: C40 H36 Cu2 N8 O6
• SMILES: [Cu]123N(Cc4[n]1cccc4)C(=O)c1cccc(C(=O)N4[Cu]5(N(C(=O)c6cccc(C(=O)N3Cc3[n]2cccc3)c6)Cc2[n]5cccc2)[n]2ccccc2C4)c1.O.O
• Title of publication: Proton-controllable fluorescent switch based on interconversion of polynuclear and dinuclear copper(II) complexes.
• Authors of publication: Liu, Hsueh-Ju; Hung, Yu-Hsin; Chou, Chang-Chuan; Su, Chan-Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 495 - 497
• a: 11.6029 ± 0.0002 Å
• b: 23.2657 ± 0.0004 Å
• c: 16.655 ± 0.0003 Å
• α: 90°
• β: 108.035 ± 0.001°
• γ: 90°
• Cell volume: 4275.11 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No