Crystallography Open Database

Information card for entry 4102705

Preview

Coordinates	4102705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H47 Ag N2 O3 S4
Calculated formula	C41 H39 Ag N2 O2 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	11.495 ± 0.003 Å
b	13.381 ± 0.003 Å
c	14.703 ± 0.004 Å
α	103.717 ± 0.005°
β	92.327 ± 0.006°
γ	101.007 ± 0.006°
Cell volume	2147.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1838
Weighted residual factors for all reflections included in the refinement	0.1986
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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.	4102705.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102705.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102705.cif
25607	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102705 via cif-deposit CGI script.	4102705.cif