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Information card for entry 1518831
Preview
| Coordinates | 1518831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 11' |
|---|---|
| Formula | C67 H62 B3 Cl8 Cu2 Mn3 O6 |
| Calculated formula | C67 H62 B3 Cl8 Cu2 Mn3 O6 |
| SMILES | [Cu]1234([Mn]5678(C#[O])([cH]9[cH]5[cH]6[cH]7[cH]89)(C1=O)B3C(C)(C)C)[Mn]135678([Cu]9%10([Mn]%11%12%13%14([cH]%15[cH]%11[cH]%12[cH]%13[cH]%14%15)(C9=O)(C#[O])B%10C(C)(C)C)(C5=O)[H]48)([cH]4[cH]1[cH]3[cH]6[cH]74)C2=O.Clc1cc(cc(Cl)c1)[B-](c1cc(Cl)cc(Cl)c1)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1.c1(ccccc1)C.c1(ccccc1)C |
| 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 | 11.301 ± 0.004 Å |
| b | 14.461 ± 0.003 Å |
| c | 21.311 ± 0.007 Å |
| α | 97.172 ± 0.014° |
| β | 96.19 ± 0.03° |
| γ | 102.139 ± 0.018° |
| Cell volume | 3345.8 ± 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1287 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1518831.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. |
1518831.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. |
1518831.cif |
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