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Information card for entry 2210705
Preview
Coordinates | 2210705.cif |
---|---|
Structure factors | 2210705.hkl |
Original IUCr paper | HTML |
Chemical name | Tetraethylammonium dichloro[N,N'-(4,5-dichloro-o-phenylene)bis(pyridine-2- carboxamidato)]chromiun(III) |
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Formula | C26 H30 Cl4 Cr N5 O2 |
Calculated formula | C26 H30 Cl4 Cr N5 O2 |
SMILES | [Cr]123(Cl)(Cl)[n]4ccccc4C(=O)N1c1cc(Cl)c(Cl)cc1N2C(=O)c1[n]3cccc1.[N+](CC)(CC)(CC)CC |
Title of publication | Tetraethylammonium dichloro[<i>N</i>,<i>N</i>'-(4,5-dichloro-1,2-phenylene)bis(pyridine-2-carboxamidato)]chromate(III) |
Authors of publication | Choi, Yun Wee; Kim, Shin Han; Lee, Do Nam; Kim, Cheal; Kim, Youngmee |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 10 |
Pages of publication | m2715 - m2716 |
a | 8.061 ± 0.005 Å |
b | 22.874 ± 0.014 Å |
c | 15.653 ± 0.009 Å |
α | 90° |
β | 97.35 ± 0.012° |
γ | 90° |
Cell volume | 2862 ± 3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1381 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1251 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.818 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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