Information card for entry 7108806

Structure parameters

• Formula: C48 H60 N6 O19 S6 Zn4
• Calculated formula: C39 H18 N3 O16 S6 Zn4
• Title of publication: Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions
• Authors of publication: Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1088 - 1090
• a: 18.115 ± 0.003 Å
• b: 14.489 ± 0.005 Å
• c: 22.113 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5804 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No