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Information card for entry 1507960
Preview
| Coordinates | 1507960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H50 B22 F8 P2 Pt S2 |
|---|---|
| Calculated formula | C32 H50 B22 F8 P2 Pt S2 |
| SMILES | [Pt]12([S](CC[P]1(c1ccccc1)c1ccccc1)[B]1345[BH]678[CH]9%10%11[BH]%12%13%14[CH]%15%16%17[BH]%189%12[BH]96%10[BH]648[BH]%16%189[BH]5%176[BH]3%14%15[BH]17%11%13)[S](CC[P]2(c1ccccc1)c1ccccc1)[B]1234[BH]567[CH]89%10[BH]%11%12%13[CH]%14%15%16[BH]%178%11[BH]859[BH]537[BH]%15%178[BH]4%165[BH]2%13%14[BH]16%10%12.[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 | 13.2738 ± 0.0006 Å |
| b | 18.9981 ± 0.0008 Å |
| c | 19.6952 ± 0.0009 Å |
| α | 90° |
| β | 105.576 ± 0.003° |
| γ | 90° |
| Cell volume | 4784.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1507960.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507960.cif |
| 62506 | 2012-07-09 | cif/ Adding structures of 1507960 via cif-deposit CGI script. |
1507960.cif |
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