Information card for entry 7208474

Structure parameters

• Formula: C79 H74 N8 O14 Zn2
• Calculated formula: C79 H67.6 N8 O14 Zn2
• Title of publication: A series of coordination polymers based on flexible 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally related N-donor ligands: syntheses, structures and photoluminescent properties
• Authors of publication: Zhang, Yun-Xue; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 6004
• a: 12.173 ± 0.0006 Å
• b: 24.055 ± 0.001 Å
• c: 14.235 ± 0.0006 Å
• α: 90°
• β: 91.543 ± 0.004°
• γ: 90°
• Cell volume: 4166.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No