Information card for entry 7111485

Structure parameters

• Formula: C41 H31 Cl2 Fe N7 O8
• Calculated formula: C41 Cl2 Fe N7 O8
• SMILES: [Fe]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccccc1)c1[n]2c(ccc1)c1[n]3c(cc(c1)c1ccccc1)c1[n]4cccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Highly cytotoxic iron(ii) complexes with pentadentate pyridyl ligands as a new class of anti-tumor agents
• Authors of publication: Wong, Ella Lai-Ming; Fang, Guo-Su; Che, Chi-Ming; Zhu, Nianyong
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 36
• Pages of publication: 4578 - 4580
• a: 13.072 ± 0.003 Å
• b: 13.181 ± 0.003 Å
• c: 14.66 ± 0.003 Å
• α: 76.69 ± 0.03°
• β: 67.58 ± 0.03°
• γ: 62.77 ± 0.03°
• Cell volume: 2071.5 ± 1 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.1903
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.2941
• Weighted residual factors for all reflections included in the refinement: 0.3377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No