Information card for entry 7704928

Structure parameters

• Formula: C56 H44 N8 O12 S2 Zn2
• Calculated formula: C56 H44 N8 O12 S2 Zn2
• Title of publication: Modulating the regioselectivity of solid-state photodimerization in coordination polymer crystals.
• Authors of publication: Hu, Fei-Long; Qin, Zhen; Wang, Meng-Fan; Kang, Xue Wan; Qin, Yong-Li; Wang, Yong; Chen, Shu-Li; Young, David James; Mi, Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 31
• Pages of publication: 10858 - 10865
• a: 8.7635 ± 0.0004 Å
• b: 9.9015 ± 0.0005 Å
• c: 14.6288 ± 0.0007 Å
• α: 99.446 ± 0.001°
• β: 103.68 ± 0.001°
• γ: 92.466 ± 0.001°
• Cell volume: 1212.19 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No