Information card for entry 4320078

Structure parameters

• Formula: C19 H19 Cl Cu N3 O7
• Calculated formula: C19 H18 Cl Cu N3 O7
• SMILES: [Cu]12([n]3c(c4[n]1cccc4)cccc3)(OC(=O)[C@@H]([NH2]2)Cc1ccccc1)[OH2].Cl(=O)(=O)(=O)[O-]
• Title of publication: Conformational Isomerism and Weak Molecular and Magnetic Interactions in Ternary Copper(II) Complexes of [Cu(AA)L']ClO4.nH2O, Where AA = l-Phenylalanine and l-Histidine, L' = 1,10-Phenanthroline and 2,2-Bipyridine, and n = 1 or 1.5: Synthesis, Single-Crystal X-ray Structures, and Magnetic Resonance Investigations
• Authors of publication: P. S. Subramanian; E. Suresh; P. Dastidar; S. Waghmode; D. Srinivas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4291 - 4301
• a: 7.422 ± 0.007 Å
• b: 11.397 ± 0.005 Å
• c: 12.61 ± 0.002 Å
• α: 90°
• β: 102.1 ± 0.05°
• γ: 90°
• Cell volume: 1043 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK/a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No