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Information card for entry 4312787
Preview
Coordinates | 4312787.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H17 Cl2 N5 O Zn |
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Calculated formula | C15.67 H13 Cl2 N5 O Zn |
Title of publication | 2,6-Di(pyrimidin-4-yl)pyridine Ligands with Nitrogen-Containing Auxiliaries: The Formation of Functionalized Molecular Clefts upon Metal Coordination |
Authors of publication | J. Frantz Folmer-Andersen; Hassan Aït-Haddou; Vincent M. Lynch; Eric V. Anslyn |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 8674 - 8681 |
a | 7.362 ± 0.0003 Å |
b | 9.4311 ± 0.0005 Å |
c | 12.5945 ± 0.0007 Å |
α | 79.885 ± 0.003° |
β | 85.167 ± 0.003° |
γ | 86.045 ± 0.002° |
Cell volume | 856.5 ± 0.07 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0928 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.0937 |
Weighted residual factors for all reflections included in the refinement | 0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
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/4312787.html
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