Information card for entry 7704926

Structure parameters

• Formula: C29 H22 Cd N2 O7
• Calculated formula: C29 H22 Cd N2 O7
• 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: 7.8069 ± 0.0006 Å
• b: 11.1225 ± 0.0009 Å
• c: 14.1952 ± 0.0012 Å
• α: 85.643 ± 0.007°
• β: 84.3 ± 0.007°
• γ: 82.732 ± 0.007°
• Cell volume: 1214.14 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No