Crystallography Open Database

Information card for entry 4115647

Preview

Coordinates	4115647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 K O6 Si
Calculated formula	C30 H41 K O6 Si
SMILES	[SiH2](c1ccccc1)(c1ccccc1)c1ccccc1.[K]12345[O]6CC[O]3CC[O]2CC[O]4CC[O]5CC[O]1CC6
Title of publication	The First Structurally Characterized Hypervalent Silicon Hydride: Unexpected Molecular Geometry and Si-H...K Interactions
Authors of publication	Michael J. Bearpark; G. Sean McGrady; Paul D. Prince; Jonathan W. Steed
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	7736 - 7737
a	9.3861 ± 0.0005 Å
b	20.2252 ± 0.001 Å
c	16.5969 ± 0.001 Å
α	90°
β	103.54 ± 0.003°
γ	90°
Cell volume	3063.1 ± 0.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.1095
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178927 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56.	4115647.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115647.cif
69249	2012-12-04	cif/ Adding structures of 4115647 via cif-deposit CGI script.	4115647.cif