Information card for entry 4303274

Structure parameters

• Formula: C80 H108 Cu3 K N7 O31
• Calculated formula: C80 H108 Cu3 K N7 O31
• SMILES: C1[NH]2[Cu]345([NH](Cc6c([OH]5)cccc6)[C@H](C(=O)[O]4[K]45([O]3C(=O)[C@@H]2CC(C)C)([O]2C(=O)[C@@H]([NH]3Cc6c(cccc6)[OH][Cu]6723[NH](Cc2c([OH]6)cccc2)[C@H](C(=O)[O]47)CC(C)C)CC(C)C)[O]2C(=O)[C@H](CC(C)C)[NH]3Cc4c([OH][Cu]6723[NH](Cc2c([OH]7)cccc2)[C@H](C(=O)[O]56)CC(C)C)cccc4)CC(C)C)[OH]c2ccccc12.N(=O)(=O)[O-].CO.O.O.O.O.CO.O.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: 17.8717 ± 0.0016 Å
• b: 21.262 ± 0.002 Å
• c: 26.901 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10222.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No