Information card for entry 2016010

Structure parameters

• Chemical name: poly[ethylenediammonium [copper(II)-μ~4~-benzene-1,2,4,5-tetracarboxylato] 2.5-hydrate]
• Formula: C12 H17 Cu N2 O10.5
• Calculated formula: C12 H17 Cu N2 O10.5
• Title of publication: Two pseudo-polymorphic copper‒benzene-1,2,4,5-tetracarboxylate complexes
• Authors of publication: Luo, Jian-Hai; Huang, Chang-Cang; Huang, Xi-He; Chen, Xiao-Juan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m273 - m276
• a: 11.432 ± 0.002 Å
• b: 18.484 ± 0.004 Å
• c: 7.4981 ± 0.0015 Å
• α: 90°
• β: 94.8 ± 0.03°
• γ: 90°
• Cell volume: 1578.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes