Information card for entry 7112093

Structure parameters

• Formula: C30 H20 N4 O13 Zn2
• Calculated formula: C30 H20 N4 O13 Zn2
• Title of publication: Single-crystal-to-single-crystal transformation of a two-dimensional coordination polymer through highly selective [2+2] photodimerization of a conjugated dialkene
• Authors of publication: Dong Liu; Hui-Fang Wang; Brendan F. Abrahams; Jian-Ping Lang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3173
• a: 11.092 ± 0.002 Å
• b: 11.997 ± 0.002 Å
• c: 12.063 ± 0.002 Å
• α: 78.43 ± 0.03°
• β: 73.91 ± 0.03°
• γ: 89.64 ± 0.03°
• Cell volume: 1508.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1101
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No