Information card for entry 4341783

Structure parameters

• Formula: C16.5 H19 Cl3 Fe N4 O
• Calculated formula: C16.5 H19 Cl3 Fe N4 O
• SMILES: [Fe]12(Cl)([n]3ccn(C)c3C(c3[n]1ccn3C)(c1ccccc1)OC)[Cl][Fe]1([Cl]2)(Cl)[n]2ccn(C)c2C(c2[n]1ccn2C)(c1ccccc1)OC.C(Cl)Cl
• 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: 16.4602 ± 0.0008 Å
• b: 18.1395 ± 0.0009 Å
• c: 25.8784 ± 0.0013 Å
• α: 90°
• β: 93.928 ± 0.001°
• γ: 90°
• Cell volume: 7708.6 ± 0.7 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: 0.0385
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.457
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No