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Information card for entry 1518830
Preview
| Coordinates | 1518830.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 11 |
|---|---|
| Formula | C55 H50 B3 Cl12 Cu2 Mn3 O6 |
| Calculated formula | C55 H50 B3 Cl12 Cu2 Mn3 O6 |
| SMILES | [Cu]12345([Cu]6789([H]1[Mn]1%10%11%1226(C4=O)(C7=O)[cH]2[cH]1[cH]%10[cH]%11[cH]%122)[Mn]1246(C8=O)(C#[O])([cH]7[cH]1[cH]2[cH]4[cH]67)B9C(C)(C)C)[Mn]1246(C#[O])(C3=O)([cH]3[cH]1[cH]2[cH]4[cH]63)B5C(C)(C)C.[B-](c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)(c1cc(cc(c1)Cl)Cl)c1cc(cc(c1)Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Side-on coordination of boryl and borylene complexes to cationic coinage metal fragments |
| Authors of publication | Braunschweig, Holger; Radacki, Krzysztof; Shang, Rong |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 5 |
| Pages of publication | 2989 |
| a | 11.952 ± 0.004 Å |
| b | 14.576 ± 0.005 Å |
| c | 20.573 ± 0.006 Å |
| α | 70.672 ± 0.014° |
| β | 73.21 ± 0.017° |
| γ | 68.233 ± 0.018° |
| Cell volume | 3084 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518830.cif |
| 138495 | 2015-06-07 | cif/ Updating files of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 Original log message: Adding full bibliography for 1518822--1518832.cif. |
1518830.cif |
| 133800 | 2015-03-11 | cif/ Adding structures of 1518822, 1518823, 1518824, 1518825, 1518826, 1518827, 1518828, 1518829, 1518830, 1518831, 1518832 via cif-deposit CGI script. |
1518830.cif |
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Users of the data should acknowledge the original authors of the
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