Crystallography Open Database

Information card for entry 7003174

Preview

Coordinates	7003174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 F2 K O6 Si
Calculated formula	C30 H39 F2 K O6 Si
SMILES	[K]12345([F][Si](c6ccccc6)(F)(c6ccccc6)c6ccccc6)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
Title of publication	Hypervalent hydridosilicates: synthesis, structure and hydride bridging
Authors of publication	Prince, Paul D.; Bearpark, Michael J.; McGrady, G. Sean; Steed, Jonathan W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	2
Pages of publication	271 - 282
a	9.5474 ± 0.0003 Å
b	37.429 ± 0.003 Å
c	17.6357 ± 0.0008 Å
α	90°
β	103.016 ± 0.016°
γ	90°
Cell volume	6140.2 ± 0.7 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.16
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
179735 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/31.	7003174.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003174.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003174.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003174.cif