Information card for entry 2012231

Structure parameters

• Common name: Porphycene
• Chemical name: Chloro[(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato)iron(III)] chloroform solvate
• Formula: C33 H37 Cl4 Fe N4
• Calculated formula: C33 H37 Cl4 Fe N4
• Title of publication: Chloro(3,6,13,16-tetraethyl-2,7,12,17-tetramethylporphycenato-κ^4^<i>N</i>)iron(III) chloroform solvate
• Authors of publication: Ohgo, Yoshiki; Neya, Saburo; Ikeue, Takahisa; Funasaki, Noriaki; Nakamura, Mikio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1046 - 1047
• a: 14.722 ± 0.001 Å
• b: 10.225 ± 0.001 Å
• c: 22.319 ± 0.002 Å
• α: 90°
• β: 100.35 ± 0.01°
• γ: 90°
• Cell volume: 3305.1 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1039
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.2053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes