Information card for entry 7021918

Structure parameters

• Formula: C26 H54 Cu2 N8 O18
• Calculated formula: C26 H54 Cu2 N8 O18
• SMILES: c1cc(cc[n]1[Cu]12([NH2][C@@H](C)C(=O)N1[C@H](C(=O)O2)CCC(=O)N)[OH2])c1cc[n](cc1)[Cu]12([NH2][C@@H](C)C(=O)N1[C@H](C(=O)O2)CCC(=O)N)[OH2].O.O.O.O.O.O.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: 30.6 ± 0.06 Å
• b: 7.415 ± 0.014 Å
• c: 8.89 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2017 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No