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Information card for entry 2230291
Preview
| Coordinates | 2230291.cif |
|---|---|
| Structure factors | 2230291.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate |
|---|---|
| Formula | C30 H32 Br4 Cd N4 O S2 |
| Calculated formula | C30 H32 Br4.002 Cd N4 O S2 |
| Title of publication | Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate |
| Authors of publication | Manjunatha, M. N.; Ziaulla, Mohamed; Begum, Noor Shahina; Nagasundara, K. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m771 |
| a | 22.1321 ± 0.0015 Å |
| b | 13.8746 ± 0.001 Å |
| c | 22.2594 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6835.3 ± 0.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.791 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181224 (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 2/23/02. |
2230291.cif 2230291.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. |
2230291.cif 2230291.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230291.cif 2230291.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. | 2230291.cif 2230291.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230291.cif 2230291.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230291.cif 2230291.hkl |
| 22264 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230291 via cif-deposit CGI script. |
2230291.cif |
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Users of the data should acknowledge the original authors of the
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