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Information card for entry 1546697
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| Coordinates | 1546697.cif |
|---|---|
| Structure factors | 1546697.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate |
|---|---|
| Formula | C37 H76 B N3 O Si4 |
| Calculated formula | C37 H76 B N3 O Si4 |
| Title of publication | Hexaethylguanidinium tetrakis(trimethylsilylethynyl)borate diethyl ether monosolvate |
| Authors of publication | Oberparleiter, Stefan; Laus, Gerhard; Gelbrich, Thomas; Wurst, Klaus; Kunze-Liebhäuser, Julia; Schottenberger, Herwig |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | x170724 |
| a | 12.9107 ± 0.0007 Å |
| b | 17.872 ± 0.0008 Å |
| c | 21.6094 ± 0.0011 Å |
| α | 90° |
| β | 95.0374 ± 0.0016° |
| γ | 90° |
| Cell volume | 4966.9 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1721 |
| Weighted residual factors for all reflections included in the refinement | 0.1931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199291 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546697 via cif-deposit CGI script. |
1546697.cif 1546697.hkl |
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Users of the data should acknowledge the original authors of the
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