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Information card for entry 1507961
Preview
| Coordinates | 1507961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H110 B44 Cl10 F16 P4 Pt2 S4 |
|---|---|
| Calculated formula | C69 H110 B44 Cl10 F16 P4 Pt2 S4 |
| SMILES | [Pt]12([S]([C]3456[BH]789[CH]%10%11%12[BH]%1337[BH]374[BH]4%145[BH]568[BH]68%14[BH]%1474[BH]%10%133[BH]%128%14[BH]9%1156)CC[P]1(c1ccccc1)c1ccccc1)[S](CC[P]2(c1ccccc1)c1ccccc1)[C]1234[BH]567[CH]89%10[BH]%1115[BH]152[BH]2%123[BH]346[BH]46%12[BH]%1252[BH]8%111[BH]%106%12[BH]7934.ClCCl.ClCCl.[F-][B](F)(F)F.[F-][B](F)(F)F |
| Title of publication | A coordination chemistry dichotomy for icosahedral carborane-based ligands. |
| Authors of publication | Spokoyny, Alexander M.; Machan, Charles W.; Clingerman, Daniel J.; Rosen, Mari S.; Wiester, Michael J.; Kennedy, Robert D.; Stern, Charlotte L.; Sarjeant, Amy A.; Mirkin, Chad A. |
| Journal of publication | Nature chemistry |
| Year of publication | 2011 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | 590 - 596 |
| a | 13.1494 ± 0.0004 Å |
| b | 36.1583 ± 0.0011 Å |
| c | 23.7534 ± 0.0007 Å |
| α | 90° |
| β | 95.836 ± 0.002° |
| γ | 90° |
| Cell volume | 11235.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.1354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507961.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507961.cif |
| 62507 | 2012-07-09 | cif/ Adding structures of 1507961 via cif-deposit CGI script. |
1507961.cif |
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