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Information card for entry 7040773
Preview
Coordinates | 7040773.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H36 Cl Ir N4 |
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Calculated formula | C38 H36 Cl Ir N4 |
SMILES | [Ir]123([n]4ccccc4c4ccccc14)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccc(cc31)C[NH2+]CCCC.[Cl-] |
Title of publication | Novel aminoalkyl tris-cyclometalated iridium complexes as cellular stains. |
Authors of publication | Sansee, A.; Meksawangwong, S.; Chainok, K.; Franz, K. J.; Gál, M; Pålsson, L-O; Puniyan, W.; Traiphol, R.; Pal, R.; Kielar, F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17420 - 17430 |
a | 11.8667 ± 0.001 Å |
b | 34.63 ± 0.003 Å |
c | 18.1372 ± 0.0015 Å |
α | 90° |
β | 90.037 ± 0.002° |
γ | 90° |
Cell volume | 7453.4 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0593 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation probe | x-ray |
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/7040773.html
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