Information card for entry 7051228

Structure parameters

• Formula: C36 H30 Cl2 Cu N6 O11
• Calculated formula: C36 H30 Cl2 Cu N6 O11
• Title of publication: A three-dimensional honeycomb-like network constructed with novel one-dimensional S-shaped chains via hydrogen bonding and π‒π interactions
• Authors of publication: Tong, Ming-Liang; Wu, Ying-Miao; Zheng, Shao-Liang; Chen, Xiao-Ming; Yuen, Tan; Lin, Chuan-Long; Huang, Xiaoying; Li, Jing
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 1482 - 1485
• a: 15.246 ± 0.003 Å
• b: 22.372 ± 0.004 Å
• c: 21.359 ± 0.004 Å
• α: 90°
• β: 100.2 ± 0.03°
• γ: 90°
• Cell volume: 7170 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No