Information card for entry 2021748

Structure parameters

• Chemical name: \ Poly[[pentaaquabis[μ~3~-5-(4-carboxybenzyloxy)isophthalato]bis[μ~6~-5-(4-\ carboxylatobenzyloxy)isophthalato]di-μ~3~-hydroxido-hexazinc(II)] trihydrate]
• Formula: C64 H56 O38 Zn6
• Calculated formula: C64 H56 O38 Zn6
• Title of publication: Three new Zn^II^ coordination polymers constructed from a semi-rigid tricarboxylic acid: structural changes caused by flexibility and luminescence sensing for hexavalent chromate anions
• Authors of publication: An, Yanyan; Lu, Liping; Zhu, Miaoli
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• a: 11.1726 ± 0.0008 Å
• b: 17.3565 ± 0.0012 Å
• c: 18.1282 ± 0.0012 Å
• α: 106.232 ± 0.002°
• β: 94.712 ± 0.002°
• γ: 100.804 ± 0.002°
• Cell volume: 3281.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes