Information card for entry 1562823

Structure parameters

• Formula: C42 H50 Cu3 Ho2 N6 O40
• Calculated formula: C42 H50 Cu3 Ho2 N6 O40
• SMILES: [Ho]1([O]=C2c3ccc(c[n]3[Cu]3(O2)[n]2c(C(=O)O3)ccc(c2)C(=O)O[Ho]([O]=C2c3ccc(c[n]3[Cu]3([n]4c(C(=O)O3)ccc(c4)C(=O)O1)([OH2])O2)C(=O)[O-])([OH2])([OH2])([OH2])([OH2])[OH2])C(=O)[O-])(OC(=O)c1c[n]2[Cu]3(OC(=O)c2cc1)[n]1cc(ccc1C(=O)O3)C(=O)O[Ho]1([O]=C2c3ccc(c[n]3[Cu]3(O2)[n]2c(C(=O)O3)ccc(c2)C(=O)O[Ho]([O]=C2c3ccc(c[n]3[Cu]3([n]4c(C(=O)O3)ccc(c4)C(=O)O1)O2)C(=O)[O-])(OC(=O)c1c[n]2[Cu]3([n]4c(C(=O)O3)ccc(c4)C(=O)[O-])OC(=O)c2cc1)([OH2])([OH2])([OH2])([OH2])[OH2])C(=O)[O-])([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence
• Authors of publication: Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 197
• Pages of publication: 489 - 498
• a: 7.3742 ± 0.0007 Å
• b: 13.5503 ± 0.0013 Å
• c: 15.1504 ± 0.0014 Å
• α: 72.627 ± 0.001°
• β: 76.273 ± 0.001°
• γ: 80.177 ± 0.002°
• Cell volume: 1395.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No