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Information card for entry 1505076
Preview
| Coordinates | 1505076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | {[(o-C6F4Hg)3][C10H7I]} |
|---|---|
| Formula | C28 H7 F12 Hg3 I |
| Calculated formula | C28 H7 F12 Hg3 I |
| SMILES | [Hg]1c2c([Hg]c3c([Hg]c4c1c(F)c(F)c(F)c4F)c(F)c(F)c(F)c3F)c(F)c(F)c(F)c2F.Ic1cccc2ccccc12 |
| Title of publication | Simultaneous External and Internal Heavy-Atom Effects in Binary Adducts of 1-Halonaphthalenes with Trinuclear Perfluoro-ortho-phenylene Mercury(II): A Structural and Photophysical Study |
| Authors of publication | Elbjeirami, O.; Burress, C.N.; Gabbai, F.P.; Omary, M.A. |
| Journal of publication | Journal of Physical Chemistry C |
| Year of publication | 2007 |
| Journal volume | 111 |
| Journal issue | 26 |
| Pages of publication | 9522 |
| a | 15.993 ± 0.003 Å |
| b | 7.5544 ± 0.0015 Å |
| c | 22.787 ± 0.005 Å |
| α | 90° |
| β | 98.43 ± 0.03° |
| γ | 90° |
| Cell volume | 2723.3 ± 1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505076.cif |
| 176729 | 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. |
1505076.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505076.cif |
| 45327 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505074, 1505075, 1505076 via cif-deposit CGI script. |
1505076.cif |
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Users of the data should acknowledge the original authors of the
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