Information card for entry 7046760

Structure parameters

• Formula: C83 H118 Cl Co4 N15 O15 S4
• Calculated formula: C64 H72 Cl Co4 N9 O8 S4
• Title of publication: A 2D metal-thiacalix[4]arene porous coordination polymer with 1D channels: gas absorption/separation and frequency response.
• Authors of publication: Geng, Dantong; Zhang, Min; Hang, Xinxin; Xie, Wenjie; Qin, Yucai; Li, Qiang; Bi, Yanfeng; Zheng, Zhiping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9008 - 9013
• a: 17.0886 ± 0.0005 Å
• b: 17.0886 ± 0.0005 Å
• c: 15.0638 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4398.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No