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Information card for entry 2230828
Preview
| Coordinates | 2230828.cif |
|---|---|
| Structure factors | 2230828.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2-[(Benzylphenylphosphanyl-κ<i>P</i>)methyl]phenyl- κ<i>C</i>^1^}iodidobis(trimethylphosphane)cobalt(II) |
|---|---|
| Formula | C26 H36 Co I P3 |
| Calculated formula | C26 H36 Co I P3 |
| SMILES | I[Co]1([P](C)(C)C)([P](c2ccccc2)(Cc2ccccc12)Cc1ccccc1)[P](C)(C)C |
| Title of publication | {2-[(Benzylphenylphosphanyl-κ<i>P</i>)methyl]phenyl-κ<i>C</i>^1^}iodidobis(trimethylphosphane)cobalt(II) |
| Authors of publication | Jia, Jiong; Wang, Chenggen; Liu, Nazhen; Li, Xiaoyan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m991 |
| a | 16.9282 ± 0.0019 Å |
| b | 10.6239 ± 0.0012 Å |
| c | 16.759 ± 0.0018 Å |
| α | 90° |
| β | 109.12 ± 0.002° |
| γ | 90° |
| Cell volume | 2847.7 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0831 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181230 (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 2/23/08. |
2230828.cif 2230828.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. |
2230828.cif 2230828.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230828.cif 2230828.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. | 2230828.cif 2230828.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230828.cif 2230828.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230828.cif 2230828.hkl |
| 23147 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230828 via cif-deposit CGI script. |
2230828.cif |
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Users of the data should acknowledge the original authors of the
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