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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 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1517426.cif |
| 126319 | 2014-11-06 | cif/ Updating files of 1517422, 1517423, 1517424, 1517425, 1517426 Original log message: Adding full bibliography for 1517422--1517426.cif. |
1517426.cif |
| 122423 | 2014-08-23 | cif/ Adding structures of 1517422, 1517423, 1517424, 1517425, 1517426 via cif-deposit CGI script. |
1517426.cif |
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Users of the data should acknowledge the original authors of the
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