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Information card for entry 1548876
Preview
| Coordinates | 1548876.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H72 Au2 B20 Cl2 O8 P4 Ru2 |
|---|---|
| Calculated formula | C32 H72 Au2 B20 Cl2 O8 P4 Ru2 |
| SMILES | [Au]12([Ru]34([P](O[C]5678[B]9%10%114[C]4%12%13(O[P]3(C(C)C)C(C)C)[B]3259[BH]25%12[BH]9%12%13[BH]%13%104[BH]46%11[BH]69%13[BH]974[BH]832[BH]5%1269)(C(C)C)C(C)C)(C#[O])C#[O])[Cl][Au]2([Ru]34([P](O[C]5678[B]9%10%114[C]4%12%13(O[P]3(C(C)C)C(C)C)[B]3259[BH]25%12[BH]9%12%13[BH]%13%104[BH]46%11[BH]69%13[BH]974[BH]832[BH]5%1269)(C(C)C)C(C)C)(C#[O])C#[O])[Cl]1 |
| Title of publication | Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. |
| Authors of publication | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 2601 - 2608 |
| a | 12.421 ± 0.0005 Å |
| b | 12.596 ± 0.0006 Å |
| c | 19.0782 ± 0.0008 Å |
| α | 90° |
| β | 101.457 ± 0.002° |
| γ | 90° |
| Cell volume | 2925.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0301 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.0352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228794 (current) | 2019-11-17 | cif/ Updating files of 1548874, 1548875, 1548876 Original log message: Adding full bibliography for 1548874--1548876.cif. |
1548876.cif |
| 206218 | 2018-02-06 | cif/ Adding structures of 1548874, 1548875, 1548876 via cif-deposit CGI script. |
1548876.cif |
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Users of the data should acknowledge the original authors of the
structural data.