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Information card for entry 1517275
Preview
| Coordinates | 1517275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | trans-bis(N,N'-diphenyl-4-pyrid-4-ylbenzamidinate)-bis(N,N'-diphenyl-4- bromobenzamidinate) dirhodium, ethyl acetate 2.5-solvate |
|---|---|
| Formula | C96 H84 Br2 N10 O5 Rh2 |
| Calculated formula | C96 H84 Br2 N10 O5 Rh2 |
| SMILES | [Rh]1234[Rh]([N](c5ccccc5)=C(N1c1ccccc1)c1ccc(Br)cc1)([N](c1ccccc1)=C(N2c1ccccc1)c1ccc(Br)cc1)(N(c1ccccc1)C(=[N]3c1ccccc1)c1ccc(cc1)c1ccncc1)N(c1ccccc1)C(=[N]4c1ccccc1)c1ccc(cc1)c1ccncc1.O=C(OCC)C.O=C(OCC)C.O=C(OCC)C |
| Title of publication | Optoelectronic properties and structural effects of the incremental addition of pyridyl moieties on a rhodium dimer. |
| Authors of publication | Chartrand, Daniel; Hanan, Garry S. |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 45 |
| Pages of publication | 10340 - 10352 |
| a | 13.0797 ± 0.0003 Å |
| b | 14.1503 ± 0.0004 Å |
| c | 25.3837 ± 0.0007 Å |
| α | 88.073 ± 0.0016° |
| β | 75.83 ± 0.0012° |
| γ | 72.655 ± 0.0012° |
| Cell volume | 4344 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1517275.cif |
| 131405 | 2015-02-07 | cif/ Updating files of 1517273, 1517274, 1517275, 1517276 Original log message: Adding full bibliography for 1517273--1517276.cif. |
1517275.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
1517275.cif |
| 121077 | 2014-08-02 | cif/ Adding structures of 1517273, 1517274, 1517275, 1517276 via cif-deposit CGI script. |
1517275.cif |
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