Information card for entry 2229079

Structure parameters

• Chemical name: Dinitrosylbis[tris(4-chlorophenyl)phosphane]iron
• Formula: C36 H24 Cl6 Fe N2 O2 P2
• Calculated formula: C36 H24 Cl6 Fe N2 O2 P2
• SMILES: [Fe](N=O)(N=O)([P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl)[P](c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Title of publication: Dinitrosylbis[tris(4-chlorophenyl)phosphane]iron
• 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: 2
• Pages of publication: m247
• a: 10.34 ± 0.003 Å
• b: 35.025 ± 0.01 Å
• c: 10.589 ± 0.003 Å
• α: 90°
• β: 108.399 ± 0.008°
• γ: 90°
• Cell volume: 3638.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes