Information card for entry 7002998

Structure parameters

• Formula: C34 H18 Cl2 Mn N2 O6
• Calculated formula: C34 H18 Cl2 Mn N2 O6
• SMILES: [Mn]12(Cl)(Cl)([n]3ccc4cc5OCOc5c5c6ccccc6C(=[O]2)c3c45)[n]2ccc3cc4OCOc4c4c5c(C(=[O]1)c2c34)cccc5
• 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: 15.256 ± 0.003 Å
• b: 14.178 ± 0.003 Å
• c: 25.483 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5512 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No