Information card for entry 4318864

Structure parameters

• Formula: C20 H36 Cl2 N4 Ni O11
• Calculated formula: C20 H36 Cl2 N4 Ni O11
• SMILES: [Ni]123[N]4(CC[NH]1CCC[NH]2CC[NH]3CCC4)Cc1cc(OC)c(OC)c(OC)c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Water Soluble Molecular Switches of Fluorescence Based on the NiIII/NiII Redox Change
• Authors of publication: Luigi Fabbrizzi; Maurizio Licchelli; Stefano Mascheroni; Antonio Poggi; Donatella Sacchi; Michele Zema
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6129 - 6136
• a: 8.548 ± 0.004 Å
• b: 21.255 ± 0.009 Å
• c: 15.257 ± 0.008 Å
• α: 90°
• β: 95.001 ± 0.008°
• γ: 90°
• Cell volume: 2761 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1326
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No