Information card for entry 2210419

Structure parameters

• Chemical name: Bis(glycolato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')copper(II) dihydrate
• Formula: C16 H18 Cu N2 O8
• Calculated formula: C16 H18 Cu N2 O8
• SMILES: c1ccc2c3[n]1[Cu]14(OC(=O)C[OH]4)([OH]CC(=O)O1)[n]1cccc(c31)cc2.O.O
• Title of publication: Bis(glycolato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dihydrate
• Authors of publication: Du, Lin; Zhang, Yu-Hua; Fang, Rui-Bing; Zhao, Qi-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2227 - m2229
• a: 8.3 ± 0.0006 Å
• b: 24.534 ± 0.002 Å
• c: 9.1356 ± 0.0007 Å
• α: 90°
• β: 109.66 ± 0.001°
• γ: 90°
• Cell volume: 1751.9 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes