Crystallography Open Database

Information card for entry 4066397

Preview

Coordinates	4066397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H68 N2 O3.5 Si
Calculated formula	C53 H68 N2 O3.5 Si
Title of publication	Base-Stabilized 1-Silacyclopenta-2,4-dienylidenes
Authors of publication	Gao, Yihua; Zhang, Jianying; Hu, Hongfan; Cui, Chunming
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	14
Pages of publication	3063
a	13.436 ± 0.007 Å
b	13.62 ± 0.007 Å
c	15.581 ± 0.007 Å
α	92.464 ± 0.005°
β	111.247 ± 0.004°
γ	113.704 ± 0.006°
Cell volume	2373 ± 2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.21
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4066397.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066397.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066397.cif
33884	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066397, 4066398 via cif-deposit CGI script.	4066397.cif