Information card for entry 7238521

Structure parameters

• Formula: C20 H17 N8 O6 Zn
• Calculated formula: C20 H17 N8 O6 Zn
• Title of publication: Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands
• Authors of publication: Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6934
• a: 11.8534 ± 0.0005 Å
• b: 15.0975 ± 0.0005 Å
• c: 12.565 ± 0.0005 Å
• α: 90°
• β: 111.268 ± 0.005°
• γ: 90°
• Cell volume: 2095.45 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No