Information card for entry 7212343

Structure parameters

• Formula: C38 H50 Cu2 N6 O19
• Calculated formula: C38 H50 Cu2 N6 O19
• SMILES: [Cu]12(OC(=O)c3c(cccc3)C(=O)O[Cu]34(n5c(c6[n]3cccc6)cc(=O)cc5c3[n]4cccc3)[OH2])([n]3c(c4n1c(c1[n]2cccc1)cc(=O)c4)cccc3)[OH2].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures
• Authors of publication: Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2734
• a: 10.62 ± 0.005 Å
• b: 13.189 ± 0.005 Å
• c: 16.688 ± 0.005 Å
• α: 71.418 ± 0.005°
• β: 78.686 ± 0.005°
• γ: 83.537 ± 0.005°
• Cell volume: 2169.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No