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Information card for entry 4320961
Preview
| Coordinates | 4320961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | imidazolium nonaborate |
|---|---|
| Chemical name | [C~3~H~5~N~2~]~3~ [B~9~O~12~(OH)~6~ |
| Formula | C9 H21 B9 N6 O18 |
| Calculated formula | C9 H21 B9 N6 O18 |
| Title of publication | Guanidinium and Imidazolium Borates Containing the First Examples of an Isolated Nonaborate Oxoanion: [B~9~O~12~(OH)~6~]^3^ |
| Authors of publication | David M. Schubert; Mandana Z. Visi; Carolyn B. Knobler |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 2250 - 2251 |
| a | 16.622 ± 0.003 Å |
| b | 9.3324 ± 0.0015 Å |
| c | 15.57 ± 0.003 Å |
| α | 90° |
| β | 91.17 ± 0.003° |
| γ | 90° |
| Cell volume | 2414.8 ± 0.7 Å3 |
| Cell temperature | 373 ± 2 K |
| Ambient diffraction temperature | 373 ± 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 | 0.1129 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.819 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179312 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09. |
4320961.cif |
| 130136 | 2015-01-27 | cif/4/32/09/ (robertas@koala.ibt.lt) Removed the tags '_geom_angle_publ_flag' and '_geom_bond_publ_flag' from loops. No more messages from the 'cif_validate' cod-tools validator. |
4320961.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320961.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320961.cif |
| 18285 | 2011-04-28 | ../uploads/cif-deposit/cod/cif Adding structures of 4320961 via cif-deposit CGI script. |
4320961.cif |
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