Information card for entry 7216002

Structure parameters

• Formula: C66 H57 Cl2 N5 O8 Zn2
• Calculated formula: C66 H57 Cl2 N5 O8 Zn2
• Title of publication: Assembly of a series of zinc coordination polymers based on 1,4-bis[2-(4-pyridyl)ethenyl]-2,3,5,6-tetramethylbenzene and 1,3-benzenedicarboxylate derivatives
• Authors of publication: Ge, Yu; Li, Ni-Ya; Ji, Xue-Ying; Wang, Jun-Feng; Liu, Dong; Tang, Xiao-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6621
• a: 9.907 ± 0.002 Å
• b: 10.421 ± 0.002 Å
• c: 16.142 ± 0.003 Å
• α: 81.18 ± 0.03°
• β: 75.18 ± 0.03°
• γ: 81.78 ± 0.03°
• Cell volume: 1582.6 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No