Information card for entry 7030237

Structure parameters

• Formula: C48 H30 N4 O8 Zn
• Calculated formula: C48 H30 N4 O8 Zn
• Title of publication: Syntheses, structures and physical properties of transition metal-organic frameworks assembled from trigonal heterofunctional ligands.
• Authors of publication: Song, Shu-Yan; Song, Xue-Zhi; Zhao, Shu-Na; Qin, Chao; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10412 - 10421
• a: 11.5827 ± 0.0007 Å
• b: 12.3343 ± 0.0007 Å
• c: 14.7367 ± 0.0008 Å
• α: 66.688 ± 0.001°
• β: 78.461 ± 0.001°
• γ: 89.664 ± 0.001°
• Cell volume: 1888.1 ± 0.19 ų
• Cell temperature: 179 ± 2 K
• Ambient diffraction temperature: 179 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1487
• 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