Information card for entry 4509445

Structure parameters

• Formula: C38 H31 Br Cl4 N12 O6 Zn3
• Calculated formula: C38 H27 Br Cl4 N12 O6 Zn3
• Title of publication: Synthesis, Crystal Structure, and Photoluminescence of Coordination Polymers with Mixed Ligands and Diverse Topologies
• Authors of publication: Su, Zhi; Xu, Jing; Fan, Jian; Liu, De-Jun; Chu, Qian; Chen, Man-Sheng; Chen, Shui-Sheng; Liu, Guang-Xiang; Wang, Xiao-Feng; Sun, Wei-Yin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2801
• a: 12.2042 ± 0.0013 Å
• b: 13.5443 ± 0.0015 Å
• c: 13.9699 ± 0.0014 Å
• α: 89.426 ± 0.002°
• β: 73.78 ± 0.003°
• γ: 82.52 ± 0.002°
• Cell volume: 2197.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No