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Information card for entry 2233729
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| Coordinates | 2233729.cif |
|---|---|
| Structure factors | 2233729.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(benzamidato-κ<i>N</i>)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl- κ<i>C</i>^1^]iridium(III) methanol monosolvate |
|---|---|
| Formula | C30 H24 F4 Ir N3 O3 |
| Calculated formula | C30 H20 F4 Ir N3 O3 |
| Title of publication | Aqua(benzamidato-κ<i>N</i>)bis[3,5-difluoro-2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) methanol monosolvate |
| Authors of publication | Zhang, Songlin; Wu, Feng; Ding, Yuqiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m310 |
| a | 29.544 ± 0.004 Å |
| b | 11.6258 ± 0.0012 Å |
| c | 20.247 ± 0.003 Å |
| α | 90° |
| β | 129.391 ± 0.002° |
| γ | 90° |
| Cell volume | 5374.5 ± 1.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (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 2/23/37. |
2233729.cif 2233729.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. |
2233729.cif 2233729.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233729.cif 2233729.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. | 2233729.cif 2233729.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233729.cif 2233729.hkl |
| 50976 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233729 via cif-deposit CGI script. |
2233729.cif |
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