Crystallography Open Database

Information card for entry 4102704

Preview

Coordinates	4102704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Ag Cl N2 S4
Calculated formula	C39 H36 Ag Cl N2 S4
Title of publication	Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices
Authors of publication	Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10184 - 10194
a	32.472 ± 0.002 Å
b	6.2695 ± 0.0007 Å
c	36.429 ± 0.002 Å
α	90°
β	95.889 ± 0.002°
γ	90°
Cell volume	7377.2 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1067
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	1.226
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178773 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27.	4102704.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102704.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102704.cif
25606	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102704 via cif-deposit CGI script.	4102704.cif