Information card for entry 4348032

Structure parameters

• Common name: jaa29_0ma
• Chemical name: K[(C11H11NO4)CuCl] 2(H2O)
• Formula: C11 H15 Cl Cu K N O6
• Calculated formula: C11 H15 Cl Cu K N O6
• SMILES: C1(=O)[C@H](C)c2cccc3[C@H](C(=O)O[Cu]([n]23)(O1)Cl)C.[K+].O.O.C1(=O)[C@@H](C)c2cccc3[C@@H](C(=O)O[Cu]([n]23)(O1)Cl)C.[K+].O.O
• Title of publication: Synthesis and Characterization of a Tetrapodal NO4(4-) Ligand and Its Transition Metal Complexes.
• Authors of publication: Axelson, Jordan C.; Gonzalez, Miguel I.; Meihaus, Katie R.; Chang, Christopher J.; Long, Jeffrey R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 15
• Pages of publication: 7527 - 7534
• a: 11.1219 ± 0.0006 Å
• b: 21.1832 ± 0.0013 Å
• c: 6.8152 ± 0.0003 Å
• α: 90°
• β: 118.754 ± 0.002°
• γ: 90°
• Cell volume: 1407.66 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No