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Information card for entry 8102968
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| Coordinates | 8102968.cif |
|---|
| Chemical name | niobium pentabromide |
|---|---|
| Formula | Br5 Nb |
| Calculated formula | Br5 Nb |
| SMILES | [Nb]1(Br)(Br)(Br)(Br)[Br][Nb](Br)(Br)(Br)(Br)[Br]1 |
| Title of publication | Crystal structure of niobium pentabromide, NbBr~5~, a triclinic phase |
| Authors of publication | Tragl, Sonja; Meyer, Hans-Jürgen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 161 - 162 |
| a | 6.4609 ± 0.0012 Å |
| b | 7.0308 ± 0.0014 Å |
| c | 9.584 ± 0.0017 Å |
| α | 108.84 ± 0.02° |
| β | 90.89 ± 0.02° |
| γ | 116.16 ± 0.02° |
| Cell volume | 363.38 ± 0.15 Å3 |
| Cell temperature | 215 ± 2 K |
| Ambient diffraction temperature | 215 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102968.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
8102968.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102968.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102968.cif |
| 13707 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102968 via cif-deposit CGI script. |
8102968.cif |
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Users of the data should acknowledge the original authors of the
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