Information card for entry 1553996

Structure parameters

• Formula: C12 H25.95 Cd N6 O8.98
• Calculated formula: C12 H16 Cd N6 O8.975
• Title of publication: Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis.
• Authors of publication: Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 45
• Pages of publication: 11119 - 11127
• a: 12.1161 ± 0.0005 Å
• b: 29.0903 ± 0.0012 Å
• c: 11.0501 ± 0.0005 Å
• α: 90°
• β: 92.127 ± 0.002°
• γ: 90°
• Cell volume: 3892 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No