Information card for entry 2222557

Structure parameters

• Common name: Iron(II)(hydrosulfido)-tetrakis(pivalamidophenyl)porphirinate
• Chemical name: (Cryptand-222)potassium(+) (hydrogensulfido)[5,10,15,20-tetrakis(2- pivalamidophenyl)porphyrinato]ferrate(II)
• Formula: C82 H101 Fe K N10 O10 S
• Calculated formula: C82 H100 Fe K N10 O10 S
• Title of publication: (Cryptand-222)potassium(+) (hydrogensulfido)[5,10,15,20-tetrakis(2-pivalamidophenyl)porphyrinato]ferrate(II)
• Authors of publication: Dhifet, Mondher; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m967 - m968
• a: 17.9327 ± 0.0007 Å
• b: 21.534 ± 0.0007 Å
• c: 22.767 ± 0.0009 Å
• α: 90°
• β: 100.611 ± 0.002°
• γ: 90°
• Cell volume: 8641.4 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes