Information card for entry 2016436

Structure parameters

• Chemical name: Bis[μ-6,6'-dimethoxy-2,2'-[propane-1,2-\ diylbis(iminomethylene)]diphenolato]bis[aquacopper(II)] dihydrate
• Formula: C38 H56 Cu2 N4 O12
• Calculated formula: C38 H56 Cu2 N4 O12
• SMILES: c12c(c(ccc1)OC)[O]1[Cu]34(Oc5c(C[NH]4[C@@H](C[NH]3C2)C)cccc5OC)[O]2c3c(C[NH]4C[C@H](C)[NH]5Cc6c(O[Cu]1245)c(OC)ccc6)cccc3OC.O.O.O.O
• Title of publication: Bis{μ-6,6'-dimethoxy-2,2'-[propane-1,2-diylbis(iminomethylene)]diphenolato}bis[aquacopper(II)] dihydrate
• Authors of publication: Liu, Y.-F.; Xia, H.-T.; Yang, Shu-Ping; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m91 - m93
• a: 10.3214 ± 0.0016 Å
• b: 16.474 ± 0.002 Å
• c: 23.812 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4048.9 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes