Information card for entry 7111487

Structure parameters

• Formula: C29 H25 Cl F3 Fe N5 O6 S
• Calculated formula: C29 H21 Cl F3 Fe N5 O6 S
• SMILES: [Fe]1234(Cl)[n]5ccccc5C(O)(c5[n]1cccc5)c1[n]2c(ccc1)C(O)(c1[n]3cccc1)c1[n]4cccc1.O=S(=O)([O-])C(F)(F)F.OC
• 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: 8.57 ± 0.002 Å
• b: 12.315 ± 0.003 Å
• c: 15.762 ± 0.003 Å
• α: 102.03 ± 0.03°
• β: 97.89 ± 0.03°
• γ: 108.04 ± 0.03°
• Cell volume: 1510.1 ± 0.7 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No