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Information card for entry 2230775
Preview
| Coordinates | 2230775.cif |
|---|---|
| Structure factors | 2230775.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,6-Bis(diphenylphosphanyloxy)phenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']hydroxidonickel(II) |
|---|---|
| Formula | C30 H24 Ni O3 P2 |
| Calculated formula | C30 H24 Ni O3 P2 |
| SMILES | [Ni]12([P](Oc3c2c(O[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1)O |
| Title of publication | [2,6-Bis(diphenylphosphanyloxy)phenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>']hydroxidonickel(II) |
| Authors of publication | Zargarian, Davit; Salah, Abderrahmen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m940 |
| a | 15.0626 ± 0.0007 Å |
| b | 9.8901 ± 0.0005 Å |
| c | 17.382 ± 0.0008 Å |
| α | 90° |
| β | 90.15 ± 0.002° |
| γ | 90° |
| Cell volume | 2589.4 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181229 (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 2/23/07. |
2230775.cif 2230775.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. |
2230775.cif 2230775.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230775.cif 2230775.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. | 2230775.cif 2230775.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230775.cif 2230775.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230775.cif 2230775.hkl |
| 23093 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230775 via cif-deposit CGI script. |
2230775.cif |
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Users of the data should acknowledge the original authors of the
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