Information card for entry 7002997

Structure parameters

• Formula: C34 H18 Cl4 N2 O6 Zn2
• Calculated formula: C34 H18 Cl4 N2 O6 Zn2
• SMILES: c1n2c3C(=[O][Zn]42([Cl][Zn]2(n5ccc6cc7c(c8c9ccccc9C(=[O]2)c5c68)OCO7)([Cl]4)Cl)Cl)c2c(c4c5c(cc(c1)c34)OCO5)cccc2
• Title of publication: Divalent later transition metal complexes of the traditional chinese medicine (TCM) liriodenine: coordination chemistry, cytotoxicity and DNA binding studies
• Authors of publication: Liu, Yan-Cheng; Chen, Zhen-Feng; Liu, Li-Min; Peng, Yan; Hong, Xue; Yang, Bin; Liu, Hua-Gang; Liang, Hong; Orvig, Chris
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10813 - 10823
• a: 8.3086 ± 0.0008 Å
• b: 9.216 ± 0.0009 Å
• c: 10.1726 ± 0.001 Å
• α: 99.396 ± 0.001°
• β: 100.224 ± 0.001°
• γ: 93.121 ± 0.001°
• Cell volume: 753.49 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No