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Information card for entry 1518967
Preview
| Coordinates | 1518967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 Br2 N2 O2 |
|---|---|
| Calculated formula | C15 H10 Br2 N2 O2 |
| SMILES | Brc1cnc2c(c1)c1OC(Oc1c1cc(Br)cnc21)(C)C |
| 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 | 6.9502 ± 0.0007 Å |
| b | 10.2517 ± 0.0009 Å |
| c | 10.6485 ± 0.0009 Å |
| α | 82.56 ± 0.007° |
| β | 78.404 ± 0.008° |
| γ | 75.662 ± 0.008° |
| Cell volume | 717.54 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1518967.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. |
1518967.cif |
| 134607 | 2015-04-02 | cif/ Adding structures of 1518963, 1518964, 1518965, 1518966, 1518967, 1518968, 1518969, 1518970, 1518971 via cif-deposit CGI script. |
1518967.cif |
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Users of the data should acknowledge the original authors of the
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