Crystallography Open Database

Information card for entry 1564360

Preview

Coordinates	1564360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Cl11 P Si3
Calculated formula	C27 H20 Cl11 P Si3
SMILES	C(=C([C-](Cl)Cl)[Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	The power of trichlorosilylation: isolable trisilylated allyl anions, allyl radicals, and allenyl anions
Authors of publication	Georg, Isabelle; Bursch, Markus; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias
Journal of publication	Chemical Science
Year of publication	2021
a	13.4583 ± 0.0005 Å
b	18.6349 ± 0.0007 Å
c	14.6168 ± 0.0005 Å
α	90°
β	95.151 ± 0.003°
γ	90°
Cell volume	3651 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0512
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268069 (current)	2021-08-14	cif/ Adding structures of 1564360 via cif-deposit CGI script.	1564360.cif