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Information card for entry 7701823
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Coordinates | 7701823.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,4-Bis(4,5,6,7-tetrahydroindazol-2-yl)-6H-1,3,5-triazinedichloroform solvate |
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Formula | C19 H21 Cl6 N7 |
Calculated formula | C19 H21 Cl6 N7 |
Title of publication | Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands |
Authors of publication | Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm |
Journal of publication | Dalton Transactions |
Year of publication | 2019 |
a | 9.3073 ± 0.0003 Å |
b | 11.303 ± 0.0003 Å |
c | 23.5856 ± 0.0008 Å |
α | 88.648 ± 0.002° |
β | 86.046 ± 0.003° |
γ | 87.961 ± 0.002° |
Cell volume | 2473.19 ± 0.13 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1008 |
Residual factor for significantly intense reflections | 0.0766 |
Weighted residual factors for significantly intense reflections | 0.195 |
Weighted residual factors for all reflections included in the refinement | 0.2201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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