Information card for entry 4303270

Structure parameters

• Formula: C84 H116 Cl N8 Na Ni3 O27
• Calculated formula: C84 H116 Cl N8 Na Ni3 O27
• SMILES: Cl(=O)(=O)(=O)[O-].[Na]123([O]4C(=O)[C@H](CC(C)C)[NH]5[Ni]674([NH](Cc4ccccc4[OH]7)[C@H](C(=O)[O]16)CC(C)C)[OH]c1c(cccc1)C5)([O]1C(=O)[C@@H]([NH]4Cc5ccccc5[OH][Ni]5614[NH]([C@@H](CC(C)C)C(=O)[O]25)Cc1ccccc1[OH]6)CC(C)C)[O]1C(=O)[C@@H]([NH]2Cc4ccccc4[OH][Ni]4512[NH](Cc1ccccc1[OH]5)[C@H](C(=O)[O]34)CC(C)C)CC(C)C.O.OC.O.C(#N)C.O.OC.C(#N)C
• 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: 17.7564 ± 0.0008 Å
• b: 20.9237 ± 0.001 Å
• c: 26.682 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9913.2 ± 0.8 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: 0.051
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No