Information card for entry 1557560

Structure parameters

• Formula: C8 H32 Cd0.96 Cu0.04 N6 O18 S2
• Calculated formula: C8 H32 Cd0.962 Cu0.038 N6 O18 S2
• Title of publication: Electron Paramagnetic Resonance Characteristics and Crystal Structure of a Tutton Salt Analog: Copper Doped Cadmium Creatininium Sulfate.
• Authors of publication: Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2020
• a: 6.5584 ± 0.0003 Å
• b: 27.8708 ± 0.0012 Å
• c: 7.1955 ± 0.0003 Å
• α: 90°
• β: 110.371 ± 0.001°
• γ: 90°
• Cell volume: 1232.99 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No