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Information card for entry 4344103
Preview
| Coordinates | 4344103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (5,10,15,20-tetraphenyl-21-oxyazuliporphyrinato)-palladium(ii) |
|---|---|
| Formula | C50 H31 N3 O Pd |
| Calculated formula | C50 H31 N3 O Pd |
| SMILES | C12=C3C=CC=CC=C3C3=C2O[Pd]25[n]4c(=C3c3ccccc3)ccc4C(c3ccccc3)=c3ccc(=C(c4ccc(=C1c1ccccc1)[n]54)c1ccccc1)n23 |
| Title of publication | Preparation, Structural Characterization, Assessment of Potential Antiaromaticity and Metalation of 21-Oxyazuliporphyrins. |
| Authors of publication | Lash, Timothy D.; Colby, Denise A.; El-Beck, Jessica A; AbuSalim, Deyaa I.; Ferrence, Gregory M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 18 |
| Pages of publication | 9174 - 9187 |
| a | 9.3316 ± 0.0003 Å |
| b | 13.7733 ± 0.0004 Å |
| c | 14.5539 ± 0.0004 Å |
| α | 67.543 ± 0.002° |
| β | 87.729 ± 0.002° |
| γ | 86.299 ± 0.002° |
| Cell volume | 1724.88 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0562 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4344103.cif |
| 160483 | 2015-10-06 | cif/ Updating files of 4344103, 4344104 Original log message: Adding full bibliography for 4344103--4344104.cif. |
4344103.cif |
| 153871 | 2015-09-02 | cif/ Adding structures of 4344103 via cif-deposit CGI script. |
4344103.cif |
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