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Information card for entry 1569078
Preview
| Coordinates | 1569078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H18 B5 N3 O10 |
|---|---|
| Calculated formula | C7 H18 B5 N3 O10 |
| 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 | 9.3096 ± 0.0006 Å |
| b | 9.3175 ± 0.0003 Å |
| c | 9.3733 ± 0.0006 Å |
| α | 76.598 ± 0.005° |
| β | 85.611 ± 0.005° |
| γ | 79.947 ± 0.004° |
| Cell volume | 778.22 ± 0.08 Å3 |
| Cell temperature | 99.9 ± 0.7 K |
| Ambient diffraction temperature | 99.9 ± 0.7 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1677 |
| Weighted residual factors for all reflections included in the refinement | 0.1747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283552 (current) | 2023-05-06 | cif/ Adding structures of 1569078 via cif-deposit CGI script. |
1569078.cif |
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Users of the data should acknowledge the original authors of the
structural data.