Crystallography Open Database

Information card for entry 4083497

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Coordinates	4083497.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis{bis(di-tert-butylmethylsilyl)[(tetrahydrofuran)lithio]silyl}
Formula	C44 H100 Li2 O2 Si6
Calculated formula	C44 H100 Li2 O2 Si6
SMILES	[Si]1([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Li]([Si]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Li]1[O]1CCCC1)[O]1CCCC1
Title of publication	Isolable Alkali-Metal-Substituted Silyl Radicals (tBu2MeSi)2SiM (M = Li, Na, K): Electronically and Sterically Accessible Planar Silyl Radicals
Authors of publication	Inoue, Shigeyoshi; Ichinohe, Masaaki; Sekiguchi, Akira
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1358
a	15.048 ± 0.0006 Å
b	16.03 ± 0.0014 Å
c	23.183 ± 0.0018 Å
α	90°
β	94.838 ± 0.004°
γ	90°
Cell volume	5572.3 ± 0.7 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
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	0.0889
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178723 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34.	4083497.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4083497.cif
115507	2014-06-03	cif/ Adding structures of 4083497 via cif-deposit CGI script.	4083497.cif