Crystallography Open Database

Information card for entry 4068912

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Structure parameters

Formula	C30 H42 Cl2 N2 Si
Calculated formula	C30 H42 Cl2 N2 Si
SMILES	Cl[Si]1(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)CCl
Title of publication	Reactivity of a Zwitterionic Stable Silylene toward Halosilanes and Haloalkanes
Authors of publication	Xiong, Yun; Yao, Shenglai; Driess, Matthias
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1927
a	15.22 ± 0.004 Å
b	11.608 ± 0.004 Å
c	16.663 ± 0.005 Å
α	90°
β	91.04 ± 0.02°
γ	90°
Cell volume	2943.4 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.115
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1691
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
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.	4068912.cif
178579	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 4/06/89.	4068912.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068912.cif
40039	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068911, 4068912, 4068913, 4068914, 4068915, 4068916 via cif-deposit CGI script.	4068912.cif