Information card for entry 4303273

Structure parameters

• Formula: C83 H114 Cl Cu3 N8 Na O27
• Calculated formula: C83 H114 Cl Cu3 N8 Na O27
• SMILES: [Cu]12345[NH]([C@H](C(=O)[O]1[Na]16([O]2C(=O)[C@@H]([NH]3Cc2c(O4)cccc2)CC(C)C)([O]2[Cu]347([NH](Cc8ccccc8O4)[C@@H](CC(C)C)C2=O)[NH](Cc2ccccc2O7)[C@@H](CC(C)C)C(=O)[O]63)[O]2[Cu]346([NH]([C@H](C2=O)CC(C)C)Cc2ccccc2O4)[O]1C(=O)[C@@H]([NH]3Cc1c(O6)cccc1)CC(C)C)CC(C)C)Cc1ccccc1O5.Cl(=O)(=O)(=O)[O-].OC.O.O.CC#N.O.O.CC#N
• Title of publication: Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand
• Authors of publication: Mrigendra Dubey; Rik Rani Koner; Manabendra Ray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9294 - 9302
• a: 17.786 ± 0.003 Å
• b: 21.037 ± 0.003 Å
• c: 26.971 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10092 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No