Information card for entry 4341784

Structure parameters

• Formula: C16 H18 Cl2 Fe N4 O
• Calculated formula: C16 H18 Cl2 Fe N4 O
• SMILES: [Fe]1(Cl)(Cl)[n]2ccn(C)c2C(c2[n]1ccn2C)(c1ccccc1)OC
• Title of publication: Synthesis of Bis(imidazole) Metal Complexes and Their Use in Rapid NO Detection and Quantification Devices.
• Authors of publication: Victor, Eric; Kim, Sunghee; Lippard, Stephen J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141124151214003
• a: 10.2648 ± 0.0006 Å
• b: 14.0109 ± 0.0008 Å
• c: 13.2276 ± 0.0007 Å
• α: 90°
• β: 104.52 ± 0.001°
• γ: 90°
• Cell volume: 1841.62 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.59
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No