Information card for entry 7227239

Structure parameters

• Formula: C26 H26 Fe N8 O3
• Calculated formula: C26 H26 Fe N8 O3
• SMILES: [Fe]123([n]4ccccc4N([N]1=CC=[N]2N(c1[n]3cccc1)c1ccccc1)c1ccccc1)(C#N)C#N.O.O.O
• Title of publication: Nitric oxide (NO) reactivity studies on mononuclear Iron(II) complexes supported by a tetradentate Schiff base Ligand
• Authors of publication: Ghosh, Kaushik; Tyagi, Nidhi; Singh, Ovender; Singh, Udai P.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.979 ± 0.005 Å
• b: 15.13 ± 0.005 Å
• c: 10.163 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2610.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No