Information card for entry 2241672

Structure parameters

• Chemical name: Poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]
• Formula: C28 H32 N4 O14 Zn2
• Calculated formula: C28 H32 N4 O14 Zn2
• Title of publication: Crystal structure of poly[bis(ammonium) [bis(μ~4~-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]
• Authors of publication: Ordonez, Carlos; Fonari, Marina S.; Wei, Qiang; Timofeeva, Tatiana V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 764 - 767
• a: 9.47 ± 0.004 Å
• b: 12.351 ± 0.005 Å
• c: 13.575 ± 0.005 Å
• α: 90°
• β: 94.327 ± 0.005°
• γ: 90°
• Cell volume: 1583.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes