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Information card for entry 2237693
Preview
| Coordinates | 2237693.cif |
|---|---|
| Structure factors | 2237693.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | [1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')nickel(II) |
|---|---|
| Formula | C15 H32 Ni O3 P2 |
| Calculated formula | C15 H32 Ni O3 P2 |
| SMILES | C1C[P](C(C)C)(C(C)C)[Ni]2(OC(=O)O2)[P]1(C(C)C)C(C)C |
| Title of publication | [1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')nickel(II) |
| Authors of publication | Morales-Becerril, Illan; Flores-Alamo, Marcos; Garcia, Juventino J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | m200 - m201 |
| a | 8.4974 ± 0.0004 Å |
| b | 46.582 ± 0.002 Å |
| c | 14.7342 ± 0.0007 Å |
| α | 90° |
| β | 103.618 ± 0.004° |
| γ | 90° |
| Cell volume | 5668.2 ± 0.5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237693.cif 2237693.hkl |
| 181298 | 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 2/23/76. |
2237693.cif 2237693.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. |
2237693.cif 2237693.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237693.cif 2237693.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237693.cif 2237693.hkl |
| 85447 | 2013-05-07 | cif/ Adding structures of 2237693 via cif-deposit CGI script. |
2237693.cif |
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Users of the data should acknowledge the original authors of the
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