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Information card for entry 7025339
Preview
| Coordinates | 7025339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C4 H11 B5 N2 O10 |
|---|---|
| Calculated formula | C4 H11 B5 N2 O10 |
| SMILES | [B]12(OB(OB(O1)O)O)OB(OB(O2)O)O.c1(C)[nH]cc[nH+]1 |
| Title of publication | Structural (XRD) and thermal (DSC, TGA) and BET analysis of materials derived from non-metal cation pentaborate salts. |
| Authors of publication | Beckett, Michael A.; Horton, Peter N.; Hursthouse, Michael B.; Knox, David A.; Timmis, James L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 16 |
| Pages of publication | 3944 - 3951 |
| a | 8.5734 ± 0.0004 Å |
| b | 11.3879 ± 0.0008 Å |
| c | 13.5143 ± 0.0007 Å |
| α | 90° |
| β | 90.058 ± 0.003° |
| γ | 90° |
| Cell volume | 1319.44 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7025339.cif |
| 179959 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/53. |
7025339.cif |
| 92943 | 2014-01-12 | cif/ Adding structures of 7025331, 7025332, 7025333, 7025334, 7025335, 7025336, 7025337, 7025338, 7025339 via cif-deposit CGI script. |
7025339.cif |
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Users of the data should acknowledge the original authors of the
structural data.