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Information card for entry 2018103
Preview
| Coordinates | 2018103.cif |
|---|---|
| Structure factors | 2018103.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^- bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate |
|---|---|
| Formula | C22 H42 N12 O12 Pd2 |
| Calculated formula | C22 H42 N12 O12 Pd2 |
| SMILES | C1C[NH]2CC[NH2][Pd]2([NH2]1)[n]1c(cc(cc1C)c1cc(C)[n](c(c1)C)[Pd]12[NH2]CC[NH]1CC[NH2]2)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate |
| Authors of publication | Seidel, Rüdiger W.; Oppel, Iris M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m199 - m201 |
| a | 10.7697 ± 0.0006 Å |
| b | 8.0282 ± 0.0004 Å |
| c | 19.6442 ± 0.0012 Å |
| α | 90° |
| β | 102.323 ± 0.006° |
| γ | 90° |
| Cell volume | 1659.33 ± 0.16 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018103.cif 2018103.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018103.cif 2018103.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018103.cif 2018103.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. | 2018103.cif 2018103.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018103.cif 2018103.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2018103.cif 2018103.hkl |
| 22298 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018103 via cif-deposit CGI script. |
2018103.cif |
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Users of the data should acknowledge the original authors of the
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