Information card for entry 4312503

Structure parameters

• Formula: C18 H30 Cu N6 O7
• Calculated formula: C18 H30 Cu N6 O7
• Title of publication: The Crystal Structure of a Novel Copper(II) Complex with Asymmetric Ligand Derived from l-Histidine
• Authors of publication: Patrick Deschamps; Prasad P. Kulkarni; Bibudhendra Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7366 - 7368
• a: 10.9923 ± 0.0004 Å
• b: 10.9923 ± 0.0004 Å
• c: 32.2489 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3374.6 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No