Information card for entry 7210527

Structure parameters

• Formula: C16 H16 N2 O6 Zn
• Calculated formula: C16 H16 N2 O6 Zn
• Title of publication: Assembly of two Zinc(ii)-squarate coordination polymers with noncovalent and covalent bonds derived from flexible ligands, 1,2-bis(4-pyridyl)ethane (dpe)
• Authors of publication: Wang, Chih-Chieh; Chung, Wen-Chun; Lin, Hui-Wun; Dai, Shuen-Chieh; Shiu, Jia-Shiuan; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Lee, William
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2130
• a: 12.1516 ± 0.0005 Å
• b: 8.0418 ± 0.0003 Å
• c: 18.4027 ± 0.0008 Å
• α: 90°
• β: 98.503 ± 0.001°
• γ: 90°
• Cell volume: 1778.56 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No