Crystallography Open Database

Information card for entry 4106000

Preview

Coordinates	4106000.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,6-Bis[Bis(di-tert-butylmethylsilyl)silylene]cyclohexa-1,4-diene
Formula	C42 H88 Si6
Calculated formula	C42 H88 Si6
Title of publication	Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)
Authors of publication	Takeshi Nozawa; Michiyo Nagata; Masaaki Ichinohe; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	5773 - 5775
a	14.9622 ± 0.0017 Å
b	11.727 ± 0.0013 Å
c	15.0608 ± 0.0017 Å
α	90°
β	109.114 ± 0.001°
γ	90°
Cell volume	2496.9 ± 0.5 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	3
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	0.0449
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178806 (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 4/10/60.	4106000.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106000.cif
52782	2012-04-13	../uploads/cif-deposit/cod/cif Adding structures of 4106000 via cif-deposit CGI script.	4106000.cif