Information card for entry 8102212

Structure parameters

• Chemical name: 1,10-phenanthrolinium tetrachloro-1,10-phenanthroline-ferrate(III)
• Formula: C24 H17 Cl4 Fe N4
• Calculated formula: C24 H17 Cl4 Fe N4
• SMILES: [Fe]1([n]2cccc3ccc4ccc[n]1c4c23)(Cl)(Cl)(Cl)Cl.c1ccc2ccc3cccnc3c2[nH+]1
• Title of publication: Refinement of the crystal structure of 1,10-phenanthrolinium tetrachloro(1,10-phenanthroline)ferrate(III), (C12H9N2)[FeCl4(C12H8N2)]
• Authors of publication: Hamid R. Khavasi; Vahid Amani; Nasser Safari
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 41
• a: 8.694 ± 0.003 Å
• b: 11.306 ± 0.004 Å
• c: 12.802 ± 0.004 Å
• α: 111.08 ± 0.02°
• β: 96.22 ± 0.02°
• γ: 93.68 ± 0.03°
• Cell volume: 1160 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No