Crystallography Open Database

Information card for entry 4101763

Preview

Coordinates	4101763.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,4,4-tetrakis[bis(trimethylsilyl)methyl]-1,4-diisopropyl- 2-tetrasilyne anion radical
Formula	C50 H130 K O8 Si12
Calculated formula	C50 H130 K O8 Si12
SMILES	[K]1234([O](C)CC[O]1C)([O](C)CC[O]2C)([O](C)CC[O]3C)[O](C)CC[O]4C.[Si]([Si][Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C
Title of publication	An isolable disilyne anion radical and a new route to the disilenide ion upon reduction of a disilyne.
Authors of publication	Kinjo, Rei; Ichinohe, Masaaki; Sekiguchi, Akira
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Journal issue	1
Pages of publication	26 - 27
a	11.171 ± 0.0008 Å
b	22.179 ± 0.0012 Å
c	31.458 ± 0.0019 Å
α	90°
β	93.542 ± 0.004°
γ	90°
Cell volume	7779.2 ± 0.8 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	0.1229
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2145
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
178763 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17.	4101763.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 {}'	4101763.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101763.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4101763.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101763.cif
22692	2011-07-08	../uploads/cif-deposit/cod/cif Adding structures of 4101763 via cif-deposit CGI script.	4101763.cif