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Information card for entry 7052822
Preview
| Coordinates | 7052822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H74 N8 O14 Pd |
|---|---|
| Calculated formula | C68 H76 N8 O14 Pd |
| SMILES | n12[Pd]34[n]5c6C(=c7n4c(=C(c4ccc(C(=O)O)cc4)c4[n]3c(=C(c3ccc(C(=O)O)cc3)c1ccc2C(=c5cc6)c1ccc(C(=O)O)cc1)cc4)cc7)c1ccc(C(=O)O)cc1.N(C)(C)C=O.O=CN(C)C.O(CC)CC.N(C)(C)C=O.N(C)(C)C=O.O(CC)CC |
| Title of publication | The influence of ultrasound on porphyrin-based metallogel formation: efficient control of H- and J-type aggregations |
| Authors of publication | Cho, Youngje; Lee, Ji Ha; Jaworski, Justyn; Park, Sunhong; Lee, Shim Sung; Jung, Jong Hwa |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2012 |
| Journal volume | 36 |
| Journal issue | 1 |
| Pages of publication | 32 |
| a | 7.6902 ± 0.0007 Å |
| b | 14.229 ± 0.0015 Å |
| c | 14.8521 ± 0.0015 Å |
| α | 91.645 ± 0.005° |
| β | 90.598 ± 0.005° |
| γ | 90.643 ± 0.005° |
| Cell volume | 1624.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 174 ± 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 | 0.0444 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1255 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180082 (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 7/05/28. |
7052822.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052822.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052822.cif |
| 33518 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052822 via cif-deposit CGI script. |
7052822.cif |
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