Information card for entry 2312389

Structure parameters

• Chemical name: Bis(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(II)
• Formula: C54 H42 Cl4 Fe N6
• Calculated formula: C54 H42 Cl4 Fe N6
• Title of publication: Synthesis and crystal structure of bis-(<i>tert</i>-butyl isocyanide-κ<i>C</i>)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ⁴<i>N</i>]iron(II).
• Authors of publication: Nasri, Soumaya
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 10
• Pages of publication: 931 - 935
• a: 10.9679 ± 0.0005 Å
• b: 16.924 ± 0.0007 Å
• c: 13.3536 ± 0.0005 Å
• α: 90°
• β: 114.015 ± 0.001°
• γ: 90°
• Cell volume: 2264.15 ± 0.16 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes