Information card for entry 7227240

Structure parameters

• Formula: C27 H21 Cl2 Fe N9 O2
• Calculated formula: C27 H21 Cl2 Fe N9 O2
• SMILES: [Fe]123([n]4c(N(c5ccccc5)[N]3=C(C=[N]2N(c2[n]1cccc2)c1ccccc1)N(=O)=O)cccc4)(C#N)C#N.ClCCl
• 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: 9.885 ± 0.004 Å
• b: 12.712 ± 0.005 Å
• c: 13.207 ± 0.005 Å
• α: 94.82 ± 0.02°
• β: 111.057 ± 0.019°
• γ: 101.56 ± 0.02°
• Cell volume: 1495.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2669
• Weighted residual factors for all reflections included in the refinement: 0.2877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No