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Information card for entry 2232983
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| Coordinates | 2232983.cif |
|---|---|
| Structure factors | 2232983.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dicyclohexylammonium bis(hydrogen phenylphosphonato)trimethylstannate(IV) |
|---|---|
| Formula | C27 H45 N O6 P2 Sn |
| Calculated formula | C27 H45 N O6 P2 Sn |
| SMILES | [Sn](OP(=O)(O)c1ccccc1)(OP(O)(=O)c1ccccc1)(C)(C)C.[NH2+](C1CCCCC1)C1CCCCC1 |
| Title of publication | Dicyclohexylammonium trimethylbis(hydrogen phenylphosphonato)stannate(IV) |
| Authors of publication | Diop, Tidiane; Diop, Libasse; Diop, Cheikh A. K.; Molloy, Kieran C.; Kociok-Köhn, Gabriele |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1872 - m1873 |
| a | 10.8718 ± 0.0005 Å |
| b | 12.7103 ± 0.0007 Å |
| c | 13.3218 ± 0.0007 Å |
| α | 100.625 ± 0.003° |
| β | 103.687 ± 0.003° |
| γ | 111.996 ± 0.003° |
| Cell volume | 1580.41 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181251 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/29. |
2232983.cif 2232983.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232983.cif 2232983.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232983.cif 2232983.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232983.cif 2232983.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232983.cif 2232983.hkl |
| 31876 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232983 via cif-deposit CGI script. |
2232983.cif |
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Users of the data should acknowledge the original authors of the
structural data.