Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518963
Preview
| Coordinates | 1518963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ru(tbp)tpphz |
|---|---|
| Formula | C96 H108 F12 N18 P2 Ru |
| Calculated formula | C82 H87 F12 N11 P2 Ru |
| SMILES | c1cc(cc2c3cc(cc[n]3[Ru]34([n]5cc(cc6c7c(c8cc(c[n]3c8c56)c3ccc(cc3)C(C)(C)C)nc3c(c5c(c6c3cccn6)nccc5)n7)c3ccc(cc3)C(C)(C)C)([n]12)[n]1c(c2cc(cc[n]42)C(C)(C)C)cc(cc1)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(#N)C.[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 | 51.8116 ± 0.0007 Å |
| b | 15.1574 ± 0.0002 Å |
| c | 25.2431 ± 0.0003 Å |
| α | 90° |
| β | 91.59 ± 0.001° |
| γ | 90° |
| Cell volume | 19816.5 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.78 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518963.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. |
1518963.cif |
| 134607 | 2015-04-02 | cif/ Adding structures of 1518963, 1518964, 1518965, 1518966, 1518967, 1518968, 1518969, 1518970, 1518971 via cif-deposit CGI script. |
1518963.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.