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Information card for entry 2018042
Preview
| Coordinates | 2018042.cif |
|---|---|
| Structure factors | 2018042.hkl |
| Original IUCr paper | HTML |
| Common name | tu296 |
|---|---|
| Chemical name | <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II)‒ <i>trans</i>-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) (5/1) |
| Formula | C20 H22 Cu0.83 O4 Pd0.17 |
| Calculated formula | C20 H22 Cu0.834 O4 Pd0.166 |
| Title of publication | <i>trans</i>-Bis(hinokitiolato)copper(II) <i>trans</i>-bis(hinokitiolato)palladium(II) cocrystals with (5/1) and (3/2) formulations |
| Authors of publication | Ho, Douglas M.; Zdilla, Michael J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m100 - m104 |
| a | 9.1971 ± 0.0006 Å |
| b | 9.8999 ± 0.0006 Å |
| c | 11.0409 ± 0.0007 Å |
| α | 90° |
| β | 113.223 ± 0.0009° |
| γ | 90° |
| Cell volume | 923.83 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0289 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (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 2/01/80. |
2018042.cif 2018042.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. |
2018042.cif 2018042.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018042.cif 2018042.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. | 2018042.cif 2018042.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018042.cif 2018042.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2018042.cif 2018042.hkl |
| 19262 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2018042, 2018043 via cif-deposit CGI script. |
2018042.cif |
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Users of the data should acknowledge the original authors of the
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