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Information card for entry 2228550
Preview
| Coordinates | 2228550.cif |
|---|---|
| Structure factors | 2228550.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[<i>N</i>-(triphenylmethyl)pyridin- 2-amine-κ<i>N</i>^1^]nickel(II) |
|---|---|
| Formula | C48 H40 N6 Ni O6 |
| Calculated formula | C48 H40 N6 Ni O6 |
| SMILES | [Ni]12(ON(=[O]1)=O)(ON(=[O]2)=O)([n]1c(cccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(cccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Bis(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[<i>N</i>-(triphenylmethyl)pyridin-2-amine-κ<i>N</i>^1^]nickel(II) |
| Authors of publication | Zhang, Guang-Ning; Jiang, Chunjie |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1521 |
| a | 10.287 ± 0.002 Å |
| b | 23.462 ± 0.005 Å |
| c | 17.868 ± 0.004 Å |
| α | 90° |
| β | 105.266 ± 0.003° |
| γ | 90° |
| Cell volume | 4160.3 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/85. |
2228550.cif 2228550.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228550.cif 2228550.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228550.cif 2228550.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. | 2228550.cif 2228550.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228550.cif 2228550.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228550.cif 2228550.hkl |
| 5798 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228542, 2228543, 2228544, 2228545, 2228546, 2228547, 2228548, 2228549, 2228550, 2228551 via cif-deposit CGI script. |
2228550.cif |
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Users of the data should acknowledge the original authors of the
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