Information card for entry 7021919

Structure parameters

• Formula: C36 H42 Cu2 N4 O12
• Calculated formula: C36 H42 Cu2 N4 O12
• SMILES: C1(=O)CC[N]2[Cu]([n]3ccc(c4cc[n](cc4)[Cu]45(Oc6c(C=[N]4CCC(=O)O5)cc(cc6C=O)C)[OH]C)cc3)(O1)(Oc1c(C=2)cc(cc1C=O)C)[OH]C.O.O
• Title of publication: Structures and anti-cancer properties of two binuclear copper complexes.
• Authors of publication: Qin, Xiu Ying; Yang, Li Cong; Le, Fang Ling; Yu, Qian Qian; Sun, Dong Dong; Liu, Ya Nan; Liu, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14681 - 14684
• a: 7.3882 ± 0.0005 Å
• b: 29.4687 ± 0.0019 Å
• c: 8.6809 ± 0.0006 Å
• α: 90°
• β: 99.775 ± 0.007°
• γ: 90°
• Cell volume: 1862.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No