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Information card for entry 7003892
Preview
| Coordinates | 7003892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H74 B2 F Hg N3 S |
|---|---|
| Calculated formula | C62 H74 B2 F Hg N3 S |
| SMILES | B(c1cccc2cccc([Hg]3[F][B](c4cccc5cccc3c45)(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c12)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.N([S+](N(C)C)N(C)C)(C)C |
| Title of publication | Fluoride ion complexation by a B2/Hg heteronuclear tridentate lewis acid |
| Authors of publication | Dorsey, Christopher L.; Jewula, Pawel; Hudnall, Todd W.; Hoefelmeyer, James D.; Taylor, Thomas J.; Honesty, Nicole R.; Chiu, Ching-Wen; Schulte, Marcus; Gabbaï, François P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 33 |
| Pages of publication | 4442 - 4450 |
| a | 11.9011 ± 0.0009 Å |
| b | 19.2576 ± 0.0014 Å |
| c | 23.5739 ± 0.0017 Å |
| α | 90° |
| β | 95.015 ± 0.002° |
| γ | 90° |
| Cell volume | 5382.1 ± 0.7 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179742 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/38. |
7003892.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003892.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003892.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003892.cif |
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