Information card for entry 7045685

Structure parameters

• Common name: no
• Chemical name: N-methylimidazole complex of iron(II) phthalocyanine o-dichlorobenzene solvate
• Formula: C52 H36 Cl4 Fe N12
• Calculated formula: C52 H36 Cl4 Fe N12
• Title of publication: Synthesis and properties of N-methylimidazole solvates of vanadium(ii), chromium(ii) and iron(ii) phthalocyanines. Strong NIR absorption in V^II(MeIm)₂(Pc^2-).
• Authors of publication: Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 4661 - 4671
• a: 24.6494 ± 0.0013 Å
• b: 10.6126 ± 0.0004 Å
• c: 18.1082 ± 0.0008 Å
• α: 90°
• β: 108.584 ± 0.005°
• γ: 90°
• Cell volume: 4490 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No