Information card for entry 7039285

Structure parameters

• Formula: C26 H24 Cl4 Fe2 N6 O2
• Calculated formula: C26 H24 Cl4 Fe2 N6 O2
• SMILES: [Fe](Cl)(Cl)(Cl)O[Fe]123(Cl)[n]4c([C@H]5N([C@H]([N]1(Cc1[n]2cccc1)[C@@H]5c1ncccc1)c1[n]3cccc1)C(=O)C)cccc4.[Fe](Cl)(Cl)(Cl)O[Fe]123(Cl)[n]4c([C@@H]5N([C@@H]([N]1(Cc1[n]2cccc1)[C@H]5c1ncccc1)c1[n]3cccc1)C(=O)C)cccc4
• Title of publication: Amide bond cleavage initiated by coordination with transition metal ions and tuned by an auxiliary ligand.
• Authors of publication: Yang, Yongpo; Lu, Chunxin; Wang, Hailong; Liu, Xiaoming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10289 - 10296
• a: 15.282 ± 0.002 Å
• b: 12.8506 ± 0.0011 Å
• c: 15.2433 ± 0.0017 Å
• α: 90°
• β: 91.425 ± 0.013°
• γ: 90°
• Cell volume: 2992.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0866
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No