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Information card for entry 2233311
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| Coordinates | 2233311.cif |
|---|---|
| Structure factors | 2233311.hkl |
| Original IUCr paper | HTML |
| Common name | caesium samarium(III) selenide |
|---|---|
| Chemical name | tricaesium heptasamarium(III) dodecaselenide |
| Formula | Cs3 Se12 Sm7 |
| Calculated formula | Cs3 Se12 Sm7 |
| Title of publication | Cs~3~Sm~7~Se~12~ |
| Authors of publication | Schneck, Christof; Elbe, Andreas; Schurz, Christian M.; Schleid, Thomas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | i2 |
| a | 13.0387 ± 0.0009 Å |
| b | 26.6742 ± 0.0019 Å |
| c | 4.2351 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1472.95 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (current) | 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 2/23/33. |
2233311.cif 2233311.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. |
2233311.cif 2233311.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233311.cif 2233311.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. | 2233311.cif 2233311.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233311.cif 2233311.hkl |
| 32377 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233311 via cif-deposit CGI script. |
2233311.cif |
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Users of the data should acknowledge the original authors of the
structural data.