Information card for entry 4320079

Structure parameters

• Formula: C16 H19 Cl Cu N5 O7.5
• Calculated formula: C16 H18.5 Cl Cu N5 O7.5
• 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: 18.834 ± 0.006 Å
• b: 10.563 ± 0.004 Å
• c: 11.039 ± 0.003 Å
• α: 90°
• β: 115.23 ± 0.02°
• γ: 90°
• Cell volume: 1986.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No