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Information card for entry 2104471
Preview
| Coordinates | 2104471.cif |
|---|---|
| Structure factors | 2104471.hkl |
| Original IUCr paper | HTML |
| Formula | Bi6.889 Br4.778 Ni2 |
|---|---|
| Calculated formula | Bi6.883 Br4.82 Ni2 |
| Title of publication | Superspace description of the modulated structure of the metal-salt-hybrid Bi~7{-~δ}Ni~2~Br~5{-~2δ} (δ = 1/9) |
| Authors of publication | Wahl, B.; Ruck, M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | 5 |
| Pages of publication | 593 - 599 |
| a | 4.066 ± 0.0004 Å |
| b | 23.305 ± 0.003 Å |
| c | 17.13 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1623.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 7.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180904 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/44. |
2104471.cif 2104471.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2104471.cif 2104471.hkl |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2104471.cif 2104471.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. | 2104471.cif 2104471.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104471.cif 2104471.hkl |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2104471.cif 2104471.hkl |
| 840 | 2009-11-11 | hkl/ Adding FOBS data for the latest COD deposition. |
2104471.cif 2104471.hkl |
| 838 | 2009-11-11 | cif/2/ Adding files from data processed in Acta-Cryst-B-2009_05/, Acta-Cryst-C-2009_10/, Acta-Cryst-E-2009_10/ and J-Appl-Cryst-2009_05/. |
2104471.cif |
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Users of the data should acknowledge the original authors of the
structural data.