Information card for entry 7208381

Structure parameters

• Formula: C54 H45 N4 O20 Zn3
• Calculated formula: C54 H45 N4 O20 Zn3
• Title of publication: Synthesis of a 3D photochromic coordination polymer with an interpenetrating arrangement: crystal engineering for electron transfer between donor and acceptor units
• Authors of publication: Tan, Yi; Chen, Hengjun; Zhang, Jie; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5137
• a: 11.03 ± 0.002 Å
• b: 12.045 ± 0.002 Å
• c: 20.673 ± 0.004 Å
• α: 81.84 ± 0.03°
• β: 81.39 ± 0.03°
• γ: 74.74 ± 0.03°
• Cell volume: 2604.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No