Information card for entry 4303269

Structure parameters

• Formula: C82 H108 Cl K N8 Ni3 O27
• Calculated formula: C82 H108 Cl K N8 Ni3 O27
• SMILES: N#CC.[K]123([O]4C(=O)[C@@H]([NH]5[Ni]674([OH]c4ccccc4C5)[NH](Cc4c(cccc4)[OH]6)[C@H](C(=O)[O]27)CC(C)C)CC(C)C)([O]2C(=O)[C@@H]([NH]4Cc5c(cccc5)[OH][Ni]5624[NH](Cc2c(cccc2)[OH]5)[C@@H](CC(C)C)C(=O)[O]16)CC(C)C)[O]1C(=O)[C@@H]([NH]2Cc4c(cccc4)[OH][Ni]4512[NH](Cc1c(cccc1)[OH]4)[C@@H](CC(C)C)C(=O)[O]35)CC(C)C.O.O.Cl(=O)(=O)(=O)[O-].O.N#CC.O.O
• 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: 17.6885 ± 0.0007 Å
• b: 20.9207 ± 0.0008 Å
• c: 26.7585 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9902.1 ± 0.7 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: 0.0653
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No