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Information card for entry 1569080
Preview
| Coordinates | 1569080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H11 B5 N4 O10 |
|---|---|
| Calculated formula | C H11 B5 N4 O10 |
| SMILES | O1[B]2(OB(OB1O)O)OB(OB(O2)O)O.NC(N)=[NH+]N |
| Title of publication | Structural (XRD) Characterization and an Analysis of H-Bonding Motifs in Some Tetrahydroxidohexaoxidopentaborate(1-) Salts of <i>N</i>-Substituted Guanidinium Cations. |
| Authors of publication | Beckett, Michael A.; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A. |
| Journal of publication | Molecules (Basel, Switzerland) |
| Year of publication | 2023 |
| Journal volume | 28 |
| Journal issue | 7 |
| Pages of publication | 3273 |
| a | 7.487 ± 0.0002 Å |
| b | 8.5076 ± 0.0002 Å |
| c | 9.6502 ± 0.0002 Å |
| α | 93.906 ± 0.002° |
| β | 98.47 ± 0.002° |
| γ | 96.457 ± 0.002° |
| Cell volume | 601.88 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283554 (current) | 2023-05-06 | cif/ Adding structures of 1569080 via cif-deposit CGI script. |
1569080.cif |
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Users of the data should acknowledge the original authors of the
structural data.