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Information card for entry 1558018
Preview
| Coordinates | 1558018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H33 Be4 N15 S2 |
|---|---|
| Calculated formula | C2 H33 Be4 N15 S2 |
| SMILES | [S-]C#N.[S-]C#N.[NH2]1[Be]2([NH2][Be]3([NH2][Be]([NH2][Be]1([NH2]3)[NH3])([NH2]2)[NH3])[NH3])[NH3].N.N.N |
| Title of publication | Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters |
| Authors of publication | Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 21 |
| Pages of publication | 5415 - 5422 |
| a | 9.9563 ± 0.0002 Å |
| b | 8.5843 ± 0.0001 Å |
| c | 24.7099 ± 0.0004 Å |
| α | 90° |
| β | 97.454 ± 0.001° |
| γ | 90° |
| Cell volume | 2094.06 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257400 (current) | 2020-10-06 | cif/ Updating files of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 Original log message: Adding full bibliography for 1558013--1558021.cif. |
1558018.cif |
| 252747 | 2020-06-05 | cif/ Updating files of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 Original log message: Adding full bibliography for 1558013--1558021.cif. |
1558018.cif |
| 251788 | 2020-05-06 | cif/ Adding structures of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 via cif-deposit CGI script. |
1558018.cif |
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Users of the data should acknowledge the original authors of the
structural data.