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Information card for entry 7045684
Preview
| Coordinates | 7045684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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<sup>II</sup>(MeIm)<sub>2</sub>(Pc<sup>2-</sup>). |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229743 (current) | 2019-11-17 | cif/ Updating files of 7045682, 7045683, 7045684, 7045685 Original log message: Adding full bibliography for 7045682--7045685.cif. |
7045684.cif |
| 206571 | 2018-02-22 | cif/ Adding structures of 7045682, 7045683, 7045684, 7045685 via cif-deposit CGI script. |
7045684.cif |
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Users of the data should acknowledge the original authors of the
structural data.