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Information card for entry 1529308
Preview
| Coordinates | 1529308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | beta-to-beta Pt(II)-bridged diporphyrin |
|---|---|
| Formula | C106 H120 Cl6 N8 Pt |
| Calculated formula | C106 H120 Cl6 N8 Pt |
| SMILES | [Pt]123(c4cc5nc4=Cc4[nH]c(C(=c6nc(C=c7[nH]c(=C5c5cc(cc(c5)C(C)(C)C)C(C)(C)C)cc7)cc6)c5cc(cc(c5)C(C)(C)C)C(C)(C)C)cc4)([CH]4CC[CH]1=[CH]3CC[CH]2=4)c1cc2=C(c3[nH]c(cc3)C=c3nc(cc3)C(=c3[nH]c(=Cc1n2)cc3)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.ClC(Cl)Cl.ClC(Cl)Cl |
| Title of publication | Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations |
| Authors of publication | Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 6102 |
| a | 20.8774 ± 0.0006 Å |
| b | 15.8099 ± 0.0005 Å |
| c | 30.488 ± 0.0009 Å |
| α | 90° |
| β | 99.1261 ± 0.0018° |
| γ | 90° |
| Cell volume | 9935.8 ± 0.5 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1632 |
| Weighted residual factors for all reflections included in the refinement | 0.1792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529308.cif |
| 170988 | 2015-12-09 | cif/ Updating files of 1529308, 1529309, 1529310, 1529311, 1529312 Original log message: Adding full bibliography for 1529308--1529312.cif. |
1529308.cif |
| 152644 | 2015-07-31 | cif/ Adding structures of 1529308, 1529309, 1529310, 1529311, 1529312 via cif-deposit CGI script. |
1529308.cif |
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Users of the data should acknowledge the original authors of the
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