Crystallography Open Database

Information card for entry 7027562

Preview

Coordinates	7027562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H36 K N3 Si3
Calculated formula	C13 H36 K N3 Si3
SMILES	[K+].[Si](N(C)C)([C-]([Si](N(C)C)(C)C)[Si](N(C)C)(C)C)(C)C
Title of publication	Tris(triorganosilyl)methyl derivatives of potassium and lithium bearing dimethylamino or methoxy substituents at silicon. Crystal structures of KC(SiMe3)2(SiMe2NMe2), KC(SiMe2NMe2)3 and [LiC(SiMe3)(SiMe2OMe)2]2
Authors of publication	Al-Juaid, Salih S.; Eaborn, Colin; El-Hamruni, Salima; Farook, Adam; Hitchcock, Peter B.; Hopman, Martijn; Smith, J. David; Clegg, William; Izod, Keith; O’Shaughnessy, Paul
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	18
Pages of publication	3267
a	16.219 ± 0.005 Å
b	9.486 ± 0.002 Å
c	13.656 ± 0.004 Å
α	90°
β	99.67 ± 0.02°
γ	90°
Cell volume	2071.2 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections	0.1316
Weighted residual factors for significantly intense reflections	0.1182
Goodness-of-fit parameter for all reflections	1.196
Goodness-of-fit parameter for significantly intense reflections	1.198
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
179981 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/75.	7027562.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7027562.cif
95478	2014-01-28	cif/ Adding structures of 7027562, 7027563, 7027564 via cif-deposit CGI script.	7027562.cif