Information card for entry 7221614

Structure parameters

• Formula: C76 H59 Cl N8 O17 Zn4
• Calculated formula: C76 H59 Cl N8 O17 Zn4
• Title of publication: Assembly of a series of d10coordination polymers based on W-shaped 1,3-di(2′,4′-dicarboxyphenyl)benzene: from syntheses, structural diversity, luminescence, to photocatalytic properties
• Authors of publication: Zhang, Xiutang; Fan, Liming; Fan, Weiliu; Li, Bin; Zhao, Xian
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 6681
• a: 21.3597 ± 0.0015 Å
• b: 10.7751 ± 0.0007 Å
• c: 31.118 ± 0.002 Å
• α: 90°
• β: 92.635 ± 0.002°
• γ: 90°
• Cell volume: 7154.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No