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Information card for entry 1517426
Preview
Coordinates | 1517426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H98 F12 N12 O9 P2 Ru |
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Calculated formula | C42 H48 F12 N12 P2 Ru |
SMILES | [Ru]1234([n]5c(cccc5)c5[n]1c(nc(n5)c1ccc(cc1)C(C)(C)C)c1[n]2cccc1)[N]1CCCN2CCCN(c5[n]3c(N3CCCN6CCC[N]4=C36)ccc5)C=12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles |
Authors of publication | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. |
Journal of publication | Chem. Sci. |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 12 |
Pages of publication | 4800 |
a | 9.6046 ± 0.0004 Å |
b | 32.8531 ± 0.0014 Å |
c | 17.3497 ± 0.0008 Å |
α | 90° |
β | 94.903 ± 0.002° |
γ | 90° |
Cell volume | 5454.5 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0407 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1517426.html
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Users of the data should acknowledge the original authors of the
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