Information card for entry 7045683

Structure parameters

• Common name: no
• Chemical name: N-methylimidazole complex of vanadium(II) phthalocyanine o-dichlorobenzene solvate
• Formula: C52 H36 Cl4 N12 V
• Calculated formula: C52 H36 Cl4 N12 V
• 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: 13.7115 ± 0.0002 Å
• b: 17.6061 ± 0.0002 Å
• c: 9.5608 ± 0.0001 Å
• α: 90°
• β: 100.538 ± 0.001°
• γ: 90°
• Cell volume: 2269.11 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No