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Information card for entry 4342046
Preview
| Coordinates | 4342046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H84 B2 Ir2 N4 Pt S2 |
|---|---|
| Calculated formula | C78 H84 B2 Ir2 N4 Pt S2 |
| SMILES | [Pt]12([S]3[Ir]4567([S]1[Ir]389%10%11[c]1([c]%11([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]7([c]4([c]5([c]61C)C)C)C)C)=C1N(C=CN1C)CCN1C=2N(C=C1)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes. |
| Authors of publication | Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 448 - 459 |
| a | 12.25 ± 0.0009 Å |
| b | 19.8908 ± 0.0015 Å |
| c | 28.782 ± 0.003 Å |
| α | 90° |
| β | 92.822 ± 0.005° |
| γ | 90° |
| Cell volume | 7004.6 ± 1 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.1887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179523 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342046.cif |
| 130489 | 2015-02-04 | cif/ Updating files of 4342042, 4342043, 4342044, 4342045, 4342046, 4342047, 4342048, 4342049, 4342050, 4342051, 4342052 Original log message: Adding full bibliography for 4342042--4342052.cif. |
4342046.cif |
| 129777 | 2015-01-17 | cif/ Adding structures of 4342042, 4342043, 4342044, 4342045, 4342046, 4342047, 4342048, 4342049, 4342050, 4342051, 4342052 via cif-deposit CGI script. |
4342046.cif |
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Users of the data should acknowledge the original authors of the
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