Information card for entry 7031744

Structure parameters

• Formula: C52 H48 Br8 Cu2 N12 O4
• Calculated formula: C52 H48 Br8 Cu2 N12 O4
• SMILES: c12c(cc(cc1Br)Br)C=[N]1CCCn3c[n](cc3)[Cu]34([N](=Cc5c(c(cc(c5)Br)Br)O3)CCCn3c[n]([Cu]51([N](=Cc1c(O5)c(Br)cc(Br)c1)CCCn1ccnc1)O2)cc3)[N](=Cc1c(O4)c(Br)cc(Br)c1)CCCn1ccnc1
• Title of publication: Dinuclear Cu(ii) complexes based on two flexible Schiff-base ligands and one unusual in situ formed diphenolate 2,6-piperidin-4-one derivative.
• Authors of publication: Dai, Yuan; Wang, Yin-Ge; Geng, Jiao; Peng, Yu-Xin; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 13831 - 13834
• a: 12.949 ± 0.01 Å
• b: 14.283 ± 0.012 Å
• c: 19.337 ± 0.012 Å
• α: 90°
• β: 114.18 ± 0.04°
• γ: 90°
• Cell volume: 3263 ± 4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No