Crystallography Open Database

Information card for entry 4068911

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Structure parameters

Formula	C36 H47 Br N2 Si
Calculated formula	C36 H47 Br N2 Si
SMILES	Br[Si]1(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)Cc1ccccc1
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	8.7511 ± 0.0005 Å
b	12.1062 ± 0.0006 Å
c	16.5833 ± 0.0009 Å
α	109.092 ± 0.004°
β	97.563 ± 0.004°
γ	94.229 ± 0.004°
Cell volume	1632.96 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0584
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	0.907
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.	4068911.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.	4068911.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068911.cif
40039	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068911, 4068912, 4068913, 4068914, 4068915, 4068916 via cif-deposit CGI script.	4068911.cif