Information card for entry 7045684

Structure parameters

• Common name: no
• Chemical name: N-methylimidazole complex of vanadium(II) phthalocyanine o-dichlorobenzene solvate
• Formula: C52 H36 Cl4 Cr N12
• Calculated formula: C52 H36 Cl4 Cr 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: 24.7918 ± 0.0009 Å
• b: 10.5704 ± 0.0003 Å
• c: 18.1334 ± 0.0007 Å
• α: 90°
• β: 108.24 ± 0.004°
• γ: 90°
• Cell volume: 4513.3 ± 0.3 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: 0.061
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No