Information card for entry 2229378

Structure parameters

• Chemical name: Dinitrosylbis[tris(4-fluorophenyl)phosphane]iron chloroform monosolvate
• Formula: C37 H25 Cl3 F6 Fe N2 O2 P2
• Calculated formula: C37 H25 Cl3 F6 Fe N2 O2 P2
• SMILES: [Fe]([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)([P](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)(N=O)N=O.ClC(Cl)Cl
• Title of publication: Dinitrosylbis[tris(4-fluorophenyl)phosphane]iron chloroform monosolvate
• Authors of publication: Jones, Myron W.; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m332
• a: 13.994 ± 0.005 Å
• b: 15.746 ± 0.006 Å
• c: 16.716 ± 0.006 Å
• α: 90°
• β: 97.651 ± 0.008°
• γ: 90°
• Cell volume: 3651 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes