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Information card for entry 1517425
Preview
| Coordinates | 1517425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H45 Br F12 N12 O P2 Ru |
|---|---|
| Calculated formula | C41 H45 Br F12 N12 O P2 Ru |
| SMILES | Brc1ccc(c2nc3[n]4[Ru]56([n]7c3cccc7)([n]3c(c4n2)cccc3)[n]2c(N3CCCN4CCC[N]5=C34)cccc2N2CCCN3CCC[N]6=C23)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| 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 | 8.5505 ± 0.0003 Å |
| b | 44.204 ± 0.0014 Å |
| c | 12.3222 ± 0.0004 Å |
| α | 90° |
| β | 96.705 ± 0.002° |
| γ | 90° |
| Cell volume | 4625.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1239 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
1517425.cif |
| 126319 | 2014-11-06 | cif/ Updating files of 1517422, 1517423, 1517424, 1517425, 1517426 Original log message: Adding full bibliography for 1517422--1517426.cif. |
1517425.cif |
| 122423 | 2014-08-23 | cif/ Adding structures of 1517422, 1517423, 1517424, 1517425, 1517426 via cif-deposit CGI script. |
1517425.cif |
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