Crystallography Open Database

Information card for entry 4066498

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Coordinates	4066498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H14 N2 S Si
Calculated formula	C7 H14 N2 S Si
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	13.9036 ± 0.0006 Å
b	7.0905 ± 0.0002 Å
c	21.1015 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2080.26 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4066498.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066498.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066498.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.	4066498.cif