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Information card for entry 2018979
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| Coordinates | 2018979.cif |
|---|---|
| Structure factors | 2018979.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</i>-Bis{μ-<i>trans</i>-2,2'-[pentane-1,5-diylbis(azanediyl)]ditroponato}dipalladium(II) |
|---|---|
| Formula | C38 H40 N4 O4 Pd2 |
| Calculated formula | C38 H40 N4 O4 Pd2 |
| SMILES | C12C(C=CC=CC=1)=[N]1[Pd]3(O2)[N](=C2C(O3)=CC=CC=C2)CCCCC[N]2=C3C(O[Pd]42[N](=C2C(O4)=CC=CC=C2)CCCCC1)=CC=CC=C3 |
| Title of publication | A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers |
| Authors of publication | Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | 503 - 505 |
| a | 16.282 ± 0.003 Å |
| b | 17.74 ± 0.003 Å |
| c | 11.608 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3352.9 ± 1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (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 2/01/89. |
2018979.cif 2018979.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. |
2018979.cif 2018979.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. |
2018979.cif 2018979.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018979.cif 2018979.hkl |
| 86665 | 2013-07-11 | cif/ Adding structures of 2018979 via cif-deposit CGI script. |
2018979.cif |
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Users of the data should acknowledge the original authors of the
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