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Information card for entry 4070636
Preview
| Coordinates | 4070636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BSiTMS |
|---|---|
| Formula | C45 H91 B O2 Si8 |
| Calculated formula | C45 H91 B O2 Si8 |
| SMILES | [Si]([Si](C)(C)C)(B1OC(C(O1)(C)C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties# |
| Authors of publication | Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 880 |
| a | 13.1 ± 0.007 Å |
| b | 20.193 ± 0.01 Å |
| c | 24.014 ± 0.011 Å |
| α | 65.154 ± 0.012° |
| β | 78.169 ± 0.012° |
| γ | 88.869 ± 0.018° |
| Cell volume | 5626 ± 5 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070636.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070636.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070636.cif |
| 42607 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070634, 4070635, 4070636, 4070637, 4070638, 4070639 via cif-deposit CGI script. |
4070636.cif |
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Users of the data should acknowledge the original authors of the
structural data.