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Information card for entry 1518964
Preview
| Coordinates | 1518964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Rutpphz(tbp)2 |
|---|---|
| Formula | C85.5 H95 Cl11 F12 N10 P2 Ru |
| Calculated formula | C82 H88 Cl4 F12 N10 P2 Ru |
| SMILES | [Ru]123([n]4c(c5[n]2ccc(c5)C(C)(C)C)cc(cc4)C(C)(C)C)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)[n]1cccc2c1c1[n]3cccc1c1nc3c(nc21)c1c(ncc(c1)c1ccc(cc1)C(C)(C)C)c1ncc(cc31)c1ccc(cc1)C(C)(C)C.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular "Fingerhakel". |
| Authors of publication | Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 19 |
| Pages of publication | 8889 - 8905 |
| a | 45.6046 ± 0.0009 Å |
| b | 22.1737 ± 0.0004 Å |
| c | 21.548 ± 0.0006 Å |
| α | 90° |
| β | 116.956 ± 0.003° |
| γ | 90° |
| Cell volume | 19422.5 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1383 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1518964.cif |
| 138718 | 2015-06-07 | cif/ Updating files of 1518963, 1518964, 1518965, 1518966, 1518967, 1518968, 1518969, 1518970, 1518971 Original log message: Adding full bibliography for 1518963--1518971.cif. |
1518964.cif |
| 134607 | 2015-04-02 | cif/ Adding structures of 1518963, 1518964, 1518965, 1518966, 1518967, 1518968, 1518969, 1518970, 1518971 via cif-deposit CGI script. |
1518964.cif |
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Users of the data should acknowledge the original authors of the
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