Crystallography Open Database

Information card for entry 4068052

Preview

Coordinates	4068052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H82 Cl2 N8 Si4
Calculated formula	C52 H82 Cl2 N8 Si4
SMILES	C1(c2ccccc2)=[N](C(C)(C)C)[Si]2(N1C(C)(C)C)(N(/N=C/[Si](C)(C)C)[Si]1([N](=C(c3ccccc3)N1C(C)(C)C)C(C)(C)C)(N2/N=C/[Si](C)(C)C)Cl)Cl.c1(ccccc1)C.c1(ccccc1)C
Title of publication	A Remarkable End-On Activation of Diazoalkane and Cleavage of Both C‒Cl Bonds of Dichloromethane with a Silylene to a Single Product with Five-Coordinate Silicon Atoms
Authors of publication	Sen, Sakya S.; Hey, Jakob; Kratzert, Daniel; Roesky, Herbert W.; Stalke, Dietmar
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	435
a	12.613 ± 0.002 Å
b	11.307 ± 0.002 Å
c	21.148 ± 0.002 Å
α	90°
β	104.57 ± 0.02°
γ	90°
Cell volume	2919 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178506 (current)	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 4/06/80.	4068052.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068052.cif
38069	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068052 via cif-deposit CGI script.	4068052.cif