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Information card for entry 4310736
Preview
| Coordinates | 4310736.cif |
|---|---|
| Structure factors | 4310736.hkl |
| Original paper (by DOI) | HTML |
| Formula | Pd Se2 |
|---|---|
| Calculated formula | Pd Se2 |
| Title of publication | Experimental and Theoretical Investigation on the Relative Stability of the PdS2- and Pyrite-Type Structures of PdSe2 |
| Authors of publication | C. Soulard; X. Rocquefelte; P.-E. Petit; M. Evain; S. Jobic; J.-P. Itié; P. Munsch; H.-J. Koo; M.-H. Whangbo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 1943 - 1949 |
| a | 5.7457 Å |
| b | 5.8679 Å |
| c | 7.6946 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 259.425 Å3 |
| Number of distinct elements | 2 |
| 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 | 0.0304 |
| Residual factor for significantly intense reflections | 0.0176 |
| Weighted residual factors for significantly intense reflections | 0.0472 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for significantly intense reflections | 0.94 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180708 (current) | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310736.cif 4310736.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310736.cif 4310736.hkl |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310736.cif 4310736.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. | 4310736.cif 4310736.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310736.cif 4310736.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4310736.cif 4310736.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4310736.cif 4310736.hkl |
| 11745 | 2011-02-17 | Adding a few structure factor files from Inorg. Chem. 2010 |
4310736.cif 4310736.hkl |
| 3840 | 2010-11-25 | hkl/4 Adding a few available hkl files for Inorg. Chem. 2004 structures |
4310736.cif 4310736.hkl |
| 2225 | 2010-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4310736 via cif-deposit CGI script. |
4310736.cif |
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Users of the data should acknowledge the original authors of the
structural data.