Crystallography Open Database

Information card for entry 4102708

Preview

Coordinates	4102708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H77.25 Cl2 N6 Si
Calculated formula	C57.5 H77.16 Cl2 N6 Si
Title of publication	A Facile Route to Functionalized N-Heterocyclic Carbenes (NHCs) with NHC Base-Stabilized Dichlorosilylene
Authors of publication	Rajendra S. Ghadwal; Herbert W. Roesky; Markus Granitzka; Dietmar Stalke
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10018 - 10020
a	11.9004 ± 0.0015 Å
b	15.3835 ± 0.0019 Å
c	15.9396 ± 0.0019 Å
α	76.172 ± 0.002°
β	73.774 ± 0.002°
γ	69.913 ± 0.002°
Cell volume	2598.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1069
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4102708.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102708.cif
25610	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102708 via cif-deposit CGI script.	4102708.cif