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Information card for entry 7044274
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Coordinates | 7044274.cif |
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Original paper (by DOI) | HTML |
Common name | no |
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Chemical name | complex of decamethylchromocene with triphenylcorrole, o-dichlorobenzene solvate |
Formula | C63 H59 Cl2 Cr N4 |
Calculated formula | C63 H59 Cl2 Cr N4 |
Title of publication | Solid state structures and properties of free-base 5, 10, 15-triphenylcorrole (TPCor) anions obtained by deprotonation and reduction. Effective magnetic coupling of spins in (Cp*2Cr+)(H+){H2TPCor(.2-)}.C6H4Cl2 |
Authors of publication | Konarev, Dmitri V.; Karimov, Dmitry R.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 26.245 ± 0.003 Å |
b | 10.6383 ± 0.0006 Å |
c | 36.765 ± 0.003 Å |
α | 90° |
β | 90.065 ± 0.008° |
γ | 90° |
Cell volume | 10264.9 ± 1.6 Å3 |
Cell temperature | 110 ± 1 K |
Ambient diffraction temperature | 110 ± 1 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 | 0.1572 |
Residual factor for significantly intense reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.1593 |
Weighted residual factors for all reflections included in the refinement | 0.1959 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7044274.html
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