Information card for entry 4315363

Structure parameters

• Formula: C30 H42 Cl2 Mg N10 O8
• Calculated formula: C30 H42 Cl2 Mg N10 O8
• SMILES: C1[NH]2[Mg]3456[NH](CC[N]3(CCC2)Cc2cn(Cc3ccccc3)n[n]24)CCC[N]5(C1)Cc1cn(Cc2ccccc2)n[n]16.[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: 10.28 ± 0.0003 Å
• b: 16.8608 ± 0.0005 Å
• c: 11.0033 ± 0.0002 Å
• α: 90°
• β: 114.852 ± 0.001°
• γ: 90°
• Cell volume: 1730.58 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No