Information card for entry 7000525

Structure parameters

• Formula: C27 H19 Cu3 N O12
• Calculated formula: C27 H19 Cu3 N O12
• Title of publication: Syntheses, structures and magnetic properties of a family of metal carboxylate polymers viain situ metal‒ligand reactions of benzene-1,2,3-tricarboxylic acid
• Authors of publication: Zheng, Yan-Zhen; Zhang, Yue-Biao; Tong, Ming-Liang; Xue, Wei; Chen, Xiao-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1396
• a: 7.8407 ± 0.0007 Å
• b: 32.422 ± 0.003 Å
• c: 10.3554 ± 0.0009 Å
• α: 90°
• β: 106.372 ± 0.002°
• γ: 90°
• Cell volume: 2525.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No