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Information card for entry 2227695
Preview
| Coordinates | 2227695.cif |
|---|---|
| Structure factors | 2227695.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro- 1<i>H</i>-purin-9-ium tetrachloridoferrate(III) |
|---|---|
| Formula | C11 H15 Cl4 Fe N4 O4 |
| Calculated formula | C11 H15 Cl4 Fe N4 O4 |
| Title of publication | 7-(1,3-Dioxolan-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1<i>H</i>-purin-9-ium tetrachloridoferrate(III) |
| Authors of publication | Wang, Ping Ping; Gong, Jiang; Ni, Shi-Feng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1247 |
| a | 20.2947 ± 0.0004 Å |
| b | 20.2947 ± 0.0004 Å |
| c | 9.0692 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3735.38 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 77 |
| Hermann-Mauguin space group symbol | P 42 |
| Hall space group symbol | P 4c |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.2065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.302 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181197 (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 2/22/76. |
2227695.cif 2227695.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. |
2227695.cif 2227695.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227695.cif 2227695.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. | 2227695.cif 2227695.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227695.cif 2227695.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227695.cif 2227695.hkl |
| 4732 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227695 via cif-deposit CGI script. |
2227695.cif |
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