Crystallography Open Database

Information card for entry 4066398

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Structure parameters

Formula	C44 H32 Si
Calculated formula	C44 H32 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	10.78 ± 0.003 Å
b	27.233 ± 0.006 Å
c	11.144 ± 0.003 Å
α	90°
β	97.691 ± 0.005°
γ	90°
Cell volume	3242.1 ± 1.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.087
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4066398.cif
178555	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/63.	4066398.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066398.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066398.cif
33884	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066397, 4066398 via cif-deposit CGI script.	4066398.cif