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Information card for entry 1558021
Preview
| Coordinates | 1558021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H44 Be8 I2 N16 O |
|---|---|
| Calculated formula | C20 H44 Be8 I2 N16 O |
| SMILES | [I-].[Be]12([NH2][Be]34[O]56[Be]7([NH2]2)[NH2][Be]2([NH2][Be]5([NH2]1)[NH2][Be]([NH2]3)([NH2][Be]6([NH2]2)[NH2][Be]([NH2]4)([NH2]7)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1.[I-] |
| 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 | 20.1994 ± 0.0002 Å |
| b | 21.2118 ± 0.0002 Å |
| c | 23.3361 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9998.72 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 66 |
| Hermann-Mauguin space group symbol | C c c m |
| Hall space group symbol | -C 2 2c |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
1558021.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. |
1558021.cif |
| 251788 | 2020-05-06 | cif/ Adding structures of 1558013, 1558014, 1558015, 1558016, 1558017, 1558018, 1558019, 1558020, 1558021 via cif-deposit CGI script. |
1558021.cif |
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Users of the data should acknowledge the original authors of the
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