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Information card for entry 2239860
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| Coordinates | 2239860.cif |
|---|---|
| Structure factors | 2239860.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine |
|---|---|
| Formula | C18 H35 N3 P2 |
| Calculated formula | C18 H35 N3 P2 |
| SMILES | P(Nc1nc(NP(C(C)C)C(C)C)cc(c1)C)(C(C)C)C(C)C |
| Title of publication | Crystal structure of <i>N</i>,<i>N</i>'-bis(diisopropylphosphanyl)-4-methylpyridine-2,6-diamine |
| Authors of publication | Stöger, Berthold; Weil, Matthias; Bichler, Bernhard; Eder, Wolfgang; Kirchner, Karl |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o889 - o890 |
| a | 14.3394 ± 0.0012 Å |
| b | 10.0089 ± 0.0016 Å |
| c | 29.562 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4242.8 ± 0.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.0457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
2239860.cif 2239860.hkl |
| 201208 | 2017-09-25 | cif/ Removing the _symmetry_equiv_pos_* loops from entries 1542354, 2104869, 2104870, 2105299, 2221169, 2239860, 2310787, 2240938, 4030545, 4084480, 4084845, 4345557, 7111951, 7154122, 7223026 since identical information is alrady provided in the _space_group_symop_* loops. |
2239860.cif 2239860.hkl |
| 181898 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239860.cif 2239860.hkl |
| 181317 | 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 2/23/98. |
2239860.cif 2239860.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. |
2239860.cif 2239860.hkl |
| 121842 | 2014-08-10 | cif/ hkl/ Adding structures of 2239860 via cif-deposit CGI script. |
2239860.cif 2239860.hkl |
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Users of the data should acknowledge the original authors of the
structural data.