Crystallography Open Database

Information card for entry 4066499

Preview

Coordinates	4066499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 N4 S2 Si
Calculated formula	C10 H16 N4 S2 Si
SMILES	[Si](n1c(=S)n(C)cc1)(n1c(=S)n(C)cc1)(C)C
Title of publication	Poly(methimazolyl)silanes: Syntheses and Molecular Structures†
Authors of publication	Wagler, Jörg; Heine, Thomas; Hill, Anthony F.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5607
a	16.8497 ± 0.0003 Å
b	11.5975 ± 0.0002 Å
c	7.1424 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1395.73 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4066499.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066499.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066499.cif
33913	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066498, 4066499, 4066500, 4066501, 4066502, 4066503, 4066504 via cif-deposit CGI script.	4066499.cif