Information card for entry 7034740

Structure parameters

• Formula: C28 H28 Cu F6 N3 O2 P
• Calculated formula: C28 H28 Cu F6 N3 O2 P
• SMILES: [Cu]123([n]4c(C[N]1(Cc1[n]2cccc1)Cc1cccc2c1cccc2)cccc4)[O]=C(C)C=C(O3)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.
• Authors of publication: Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9516 - 9527
• a: 16.57 ± 0.003 Å
• b: 12.324 ± 0.003 Å
• c: 14.08 ± 0.003 Å
• α: 90°
• β: 101.64 ± 0.03°
• γ: 90°
• Cell volume: 2816.1 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No