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Information card for entry 7016372
Preview
Coordinates | 7016372.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H13 N5 |
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Calculated formula | C19 H13 N5 |
SMILES | n1nc(c2ncccc2)c(c2ncccc2)cc1c1ncccc1 |
Title of publication | Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes. |
Authors of publication | Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 32 |
Pages of publication | 8206 - 8212 |
a | 9.4836 ± 0.0019 Å |
b | 11.136 ± 0.002 Å |
c | 14.432 ± 0.003 Å |
α | 90° |
β | 90.87 ± 0.03° |
γ | 90° |
Cell volume | 1524 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.889 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016372.html
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