Information card for entry 4315364

Structure parameters

• Formula: C30 H42 Cl2 N10 Ni O8
• Calculated formula: C30 H42 Cl2 N10 Ni O8
• SMILES: C1C[N]23CCC[NH]4CC[N]56CCC[NH]1[Ni]346([n]1c(C5)cn(Cc3ccccc3)n1)[n]1c(C2)cn(Cc2ccccc2)n1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 17.866 ± 0.002 Å
• b: 10.0482 ± 0.0012 Å
• c: 21.869 ± 0.002 Å
• α: 90°
• β: 110.773 ± 0.005°
• γ: 90°
• Cell volume: 3670.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.111
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No