Information card for entry 7015069

Structure parameters

• Formula: C42 H36 Cl2 Fe N6 O9
• Calculated formula: C42 H36 Cl2 Fe N6 O9
• SMILES: [Fe]123([n]4cccc5c4c4[n]1cccc4c(c5C)C)([n]1cccc4c1c1[n]2cccc1c(c4C)C)[n]1cccc2c1c1[n]3cccc1c(c2C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: DNA binding, prominent DNA cleavage and efficient anticancer activities of tris(diimine)iron(II) complexes.
• Authors of publication: Ramakrishnan, Sethu; Suresh, Eringadothi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar; Palaniandavar, Mallayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3524 - 3536
• a: 12.4375 ± 0.0014 Å
• b: 17.831 ± 0.002 Å
• c: 17.8172 ± 0.0019 Å
• α: 90°
• β: 100.291 ± 0.003°
• γ: 90°
• Cell volume: 3887.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No