Information card for entry 7052923

Structure parameters

• Formula: C38 H26 Cl6 Fe N6 O8
• Calculated formula: C38 H26 Cl6 Fe N6 O8
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)Oc1cccnc1C(=O)NC(=O)c1ncccc1)[c]1([cH]5[cH]6[cH]7[cH]81)C(=O)Oc1cccnc1C(=O)NC(=O)c1ncccc1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Electrochemical, spectroscopic, magnetic and structural studies of complexes bearing ferrocenyl ligands of N-(3-hydroxypicolinoyl)picolinamide
• Authors of publication: Gasser, Gilles; Mari, Cristina; Burkart, Michelle; Green, Stephen J.; Ribas, Joan; Stoeckli-Evans, Helen; Tucker, James H. R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1819
• a: 16.391 ± 0.005 Å
• b: 18.117 ± 0.005 Å
• c: 13.078 ± 0.005 Å
• α: 90°
• β: 91.029 ± 0.005°
• γ: 90°
• Cell volume: 3883 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No