Information card for entry 4315360

Structure parameters

• Formula: C32 H45 Cl2 Cu N11 O8
• Calculated formula: C32 H45 Cl2 Cu N11 O8
• SMILES: C1C[N]23CCC[NH]4CC[N]5(CCC[NH]1[Cu]345[n]1c(C2)cn(Cc2ccccc2)n1)Cc1cn(Cc2ccccc2)nn1.CC#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Cyclam-Based "Clickates": Homogeneous and Heterogeneous Fluorescent Sensors for Zn(II)
• Authors of publication: Emiliano Tamanini; Kevin Flavin; Majid Motevalli; Silvia Piperno; Levi A. Gheber; Matthew H. Todd; Michael Watkinson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3789 - 3800
• a: 10.925 ± 0.0003 Å
• b: 14.1486 ± 0.0004 Å
• c: 14.2506 ± 0.0003 Å
• α: 63.385 ± 0.002°
• β: 77.978 ± 0.002°
• γ: 78.005 ± 0.002°
• Cell volume: 1909.57 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No