Information card for entry 2238409

Structure parameters

• Chemical name: Tetraethylammonium dicyanido(5,10,15,20-tetraphenylporphyrinato)ferrate(III) dichloromethane monosolvate
• Formula: C55 H50 Cl2 Fe N7
• Calculated formula: C54.994 H49.988 Cl1.988 Fe N7
• Title of publication: Tetraethylammonium dicyanido(5,10,15,20-tetraphenylporphyrinato)ferrate(III) dichloromethane monosolvate
• Authors of publication: Kassenova, Nazira; Hietsoi, Oleksandr; Yerkassov, Rakhmetulla; Shatruk, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m462 - m463
• a: 11.0069 ± 0.0008 Å
• b: 15.0344 ± 0.0011 Å
• c: 15.435 ± 0.0011 Å
• α: 80.075 ± 0.001°
• β: 77.527 ± 0.001°
• γ: 83.077 ± 0.001°
• Cell volume: 2447.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes