Information card for entry 4311056

Structure parameters

• Formula: C12 H19 Cu N6 O5.5
• Calculated formula: C12 H18 Cu N6 O5.5
• Title of publication: X-ray Structure of Physiological Copper(II)-Bis(l-histidinato) Complex
• Authors of publication: Patrick Deschamps; Prasad P. Kulkarni; Bibudhendra Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3338 - 3340
• a: 6.96 ± 0.0002 Å
• b: 11.665 ± 0.0005 Å
• c: 9.63 ± 0.0003 Å
• α: 90°
• β: 94.273 ± 0.002°
• γ: 90°
• Cell volume: 779.67 ± 0.05 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No