Information card for entry 7238105

Structure parameters

• Formula: C7 H7 Cd N O6
• Calculated formula: C7 H7 Cd N O6
• Title of publication: From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water
• Authors of publication: Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 94
• Pages of publication: 578
• a: 7.8679 ± 0.0019 Å
• b: 15.969 ± 0.004 Å
• c: 8.078 ± 0.002 Å
• α: 90°
• β: 114.515 ± 0.01°
• γ: 90°
• Cell volume: 923.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No