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Information card for entry 1529309
Preview
| Coordinates | 1529309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | beta-to-beta Pt(II)-bridged Zn(II) diporphyrin |
|---|---|
| Formula | C111 H123 Cl9 N8 O4 Pt Zn2 |
| Calculated formula | C111 H123 Cl9 N8 O4 Pt Zn2 |
| SMILES | [Pt]123(c4cc5n6[Zn]78([OH]C)[n]9c(=Cc46)ccc9C(=c4n7c(=Cc6[n]8c(=C5c5cc(cc(c5)C(C)(C)C)C(C)(C)C)cc6)cc4)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)([CH]4=[CH]1CC[CH]2=[CH]3CC4)c1cc2=C(c3[n]4[Zn]56([OH]C)n2c1=Cc1[n]5c(=C(c2n6c(cc2)C=c4cc3)c2cc(cc(c2)C(C)(C)C)C(C)(C)C)cc1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.OC.OC |
| 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 | 14.8426 ± 0.0003 Å |
| b | 20.11 ± 0.0004 Å |
| c | 21.2677 ± 0.0004 Å |
| α | 63.3696 ± 0.0007° |
| β | 78.2695 ± 0.0007° |
| γ | 71.6398 ± 0.0007° |
| Cell volume | 5371.33 ± 0.19 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0791 |
| Weighted residual factors for significantly intense reflections | 0.2151 |
| Weighted residual factors for all reflections included in the refinement | 0.2363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170988 (current) | 2015-12-09 | cif/ Updating files of 1529308, 1529309, 1529310, 1529311, 1529312 Original log message: Adding full bibliography for 1529308--1529312.cif. |
1529309.cif |
| 152644 | 2015-07-31 | cif/ Adding structures of 1529308, 1529309, 1529310, 1529311, 1529312 via cif-deposit CGI script. |
1529309.cif |
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Users of the data should acknowledge the original authors of the
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