Information card for entry 7235887

Structure parameters

• Formula: C13 H19 O17 Zn2.5
• Calculated formula: C13 H19 O17 Zn2.5
• Title of publication: Self-assembly, crystal structures and properties of metal‒3,4,5-tris(carboxymethoxy)benzoic acid frameworks based on polynuclear metal-hydroxyl clusters (M = Zn, Co)
• Authors of publication: Yang, Gaoshan; Wen, Huiliang; Liu, Chongbo; Robbins, Julianne; Wen, Yunhan; Zhang, Z. John
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 37
• Pages of publication: 29362
• a: 7.7407 ± 0.0004 Å
• b: 10.0073 ± 0.0006 Å
• c: 12.4336 ± 0.0007 Å
• α: 89.732 ± 0.001°
• β: 89.884 ± 0.001°
• γ: 84.946 ± 0.001°
• Cell volume: 959.39 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No