Crystallography Open Database

Information card for entry 4321087

Preview

Coordinates	4321087.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ag(dmb)2(TCNQ)0.5(TCNQ) 0.5(Toluene)
Formula	C46.5 H46 Ag N9
Calculated formula	C46.5 H46 Ag N9
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	14.3669 ± 0.0019 Å
b	9.1659 ± 0.0003 Å
c	34.012 ± 0.003 Å
α	90°
β	92.14 ± 0.008°
γ	90°
Cell volume	4475.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.5406 Å
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.	4321087.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321087.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321087.cif
18434	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321087 via cif-deposit CGI script.	4321087.cif