Crystallography Open Database

Information card for entry 4321088

Preview

Coordinates	4321088.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ag(dmb)2(TCNQ) 1.5(TCNQ)
Formula	C54 H46 Ag N14
Calculated formula	C54 H46 Ag N14
Title of publication	Preparation and Characterization of {[M(dmb)2]TCNQ.xTCNQ° }n Polymers (M = Cu,Ag; dmb = 1,8-Diisocyano-p-menthane; x = 0, 0.5, 1.0, 1.5; TCNQ = 7,7,8,8-Tetracyano-p-quinodimethane) and Design of New Semi- and Photoconducting Organometallic Materials
Authors of publication	Daniel Fortin; Marc Drouin; Pierre D. Harvey
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2758 - 2769
a	25.83 ± 0.011 Å
b	9.68 ± 0.002 Å
c	42.183 ± 0.019 Å
α	90°
β	104.87 ± 0.04°
γ	90°
Cell volume	10194 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1642
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179313 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/10.	4321088.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321088.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321088.cif
18435	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321088 via cif-deposit CGI script.	4321088.cif