Crystallography Open Database

Information card for entry 4066500

Preview

Coordinates	4066500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 N4 S2 Si
Calculated formula	C9 H14 N4 S2 Si
SMILES	S=C1N([SiH](N2C(=S)N(C)C=C2)C)C=CN1C
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	7.4489 ± 0.0002 Å
b	19.7998 ± 0.0008 Å
c	8.7347 ± 0.0003 Å
α	90°
β	100.361 ± 0.002°
γ	90°
Cell volume	1267.25 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0664
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4066500.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066500.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066500.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.	4066500.cif