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Information card for entry 2228208
Preview
| Coordinates | 2228208.cif |
|---|---|
| Structure factors | 2228208.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(dicyclohexylammonium) μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^- bis[aqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)diphenylstannate(IV)] |
|---|---|
| Formula | C54 H72 N2 O14 Sn2 |
| Calculated formula | C54 H72 N2 O14 Sn2 |
| SMILES | [NH2+](C1CCCCC1)C1CCCCC1.C1(=O)C(=O)O[Sn]2(c3ccccc3)(O1)([O]=C1O[Sn]3(c4ccccc4)(OC(=O)C(=O)O3)([O]=C1O2)([OH2])c1ccccc1)([OH2])c1ccccc1.[NH2+](C1CCCCC1)C1CCCCC1 |
| Title of publication | Bis(dicyclohexylammonium) μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[aqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)diphenylstannate(IV)] |
| Authors of publication | Gueye, Ndongo; Diop, Libasse; Molloy, K. C. Kieran; Kociok-Köhn, Gabrielle |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1645 - m1646 |
| a | 13.1725 ± 0.0004 Å |
| b | 14.6121 ± 0.0004 Å |
| c | 14.1139 ± 0.0004 Å |
| α | 90° |
| β | 100.869 ± 0.002° |
| γ | 90° |
| Cell volume | 2667.88 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0879 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228208.cif 2228208.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228208.cif 2228208.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228208.cif 2228208.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. | 2228208.cif 2228208.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228208.cif 2228208.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228208.cif 2228208.hkl |
| 5763 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228202, 2228203, 2228204, 2228205, 2228206, 2228207, 2228208, 2228209, 2228210, 2228211 via cif-deposit CGI script. |
2228208.cif |
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