Information card for entry 7106940

Structure parameters

• Formula: C44 H42 Cl N5 O3 Zn
• Calculated formula: C44 H42 Cl N5 O3 Zn
• SMILES: C1c2cccc3C[N]4(CC[N]5(CC[N]1(Cc1cccc6ccccc16)[Zn]45(Cl)([n]23)ON(=O)=O)Cc1cccc2ccccc12)Cc1cccc2ccccc12
• Title of publication: A potent antitumor Zn2+ tetraazamacrocycle complex targeting DNA: the fluorescent recognition, interaction and apoptosis studies
• Authors of publication: Jinghan Wen; Cheng-Ying Li; Zhi-Rong Geng; Xiao-Yan Ma; Zhi-Lin Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11330
• a: 9.4836 ± 0.0014 Å
• b: 11.4042 ± 0.0017 Å
• c: 19.359 ± 0.004 Å
• α: 99.107 ± 0.003°
• β: 91.948 ± 0.003°
• γ: 113.645 ± 0.002°
• Cell volume: 1882.8 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0881
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No