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Information card for entry 1546884
Preview
| Coordinates | 1546884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C156 H194 B4 Fe Ge4 N12 |
|---|---|
| Calculated formula | C128 H162 B4 Fe Ge4 N12 |
| SMILES | [Ge]12([Ge]3(N(c4c(cccc4C)C)B(N3c3c(cccc3C)C)N(C(C)C)C(C)C)C(=C2c2ccccc2)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2(C3=C([Ge]4([Ge]53N(c3c(cccc3C)C)B(N5c3c(cccc3C)C)N(C(C)C)C(C)C)N(c3c(cccc3C)C)B(N4c3c(cccc3C)C)N(C(C)C)C(C)C)c3ccccc3)[cH]7[cH]8[cH]9[cH]%102)N(c2c(cccc2C)C)B(N1c1c(cccc1C)C)N(C(C)C)C(C)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Facile activation of alkynes with a boraguanidinato-stabilized germylene: a combined experimental and theoretical study |
| Authors of publication | Böserle, Jiří; Zhigulin, Grigory; Štěpnička, Petr; Horký, Filip; Erben, Milan; Jambor, Roman; R°užička, Aleš; Ketkov, Sergey; Dostál, Libor |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 36 |
| Pages of publication | 12339 - 12353 |
| a | 10.8838 ± 0.0008 Å |
| b | 16.8256 ± 0.0012 Å |
| c | 19.8906 ± 0.0016 Å |
| α | 77.578 ± 0.003° |
| β | 78.671 ± 0.003° |
| γ | 72.523 ± 0.003° |
| Cell volume | 3358.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1122 |
| Residual factor for significantly intense reflections | 0.0817 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1546884.cif |
| 199978 | 2017-08-29 | cif/ Adding structures of 1546884, 1546885, 1546886, 1546887, 1546888, 1546889, 1546890, 1546891 via cif-deposit CGI script. |
1546884.cif |
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Users of the data should acknowledge the original authors of the
structural data.