Information card for entry 7209851

Structure parameters

• Formula: C9 H4 Cl Er N2 O8
• Calculated formula: C9 H4 Cl Er N2 O8
• Title of publication: Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating
• Authors of publication: Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 28
• Pages of publication: 5606
• a: 6.8722 ± 0.0009 Å
• b: 7.8857 ± 0.0011 Å
• c: 10.9592 ± 0.0015 Å
• α: 101.529 ± 0.002°
• β: 106.681 ± 0.002°
• γ: 95.551 ± 0.002°
• Cell volume: 549.87 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No