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Information card for entry 7054770
Preview
| Coordinates | 7054770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 N3 O2 |
|---|---|
| Calculated formula | C29 H21 N3 O2 |
| SMILES | C(=O)c1ccccc1OCc1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1 |
| Title of publication | A new heterometallic terbium(iii)‒ruthenium(ii) complex and its terbium(iii)‒zinc(ii) analog: syntheses, characterization, luminescence, and electrochemical properties |
| Authors of publication | Maria Xavier, A. John; Samy, N. Arockia; Paul, M. Wilson Bosco; Brainard, B.; Letticia, M.; Alexander, V. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 6 |
| Pages of publication | 4284 |
| a | 7.074 ± 0.002 Å |
| b | 9.8727 ± 0.0004 Å |
| c | 17.1493 ± 0.0008 Å |
| α | 81.198 ± 0.002° |
| β | 89.999 ± 0.008° |
| γ | 69.007 ± 0.018° |
| Cell volume | 1103.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0566 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180101 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47. |
7054770.cif |
| 138783 | 2015-06-07 | cif/ Updating files of 7054770 Original log message: Adding full bibliography for 7054770.cif. |
7054770.cif |
| 134178 | 2015-03-20 | cif/ Adding structures of 7054770 via cif-deposit CGI script. |
7054770.cif |
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Users of the data should acknowledge the original authors of the
structural data.