Crystallography Open Database

Information card for entry 1508466

Preview

Coordinates	1508466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 P Pd2 S20
Calculated formula	C17 H14 P Pd2 S20
Title of publication	Cation Dependence of Crystal Structure and Band Parameters in a Series of Molecular Conductors, beta'-(Cation)[Pd(dmit)2]2 (dmit = 1,3-dithiole-2-thione-4,5-dithiolate)
Authors of publication	Kato, Reizo; Hengbo, Cui
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	3
Pages of publication	861 - 874
a	14.437 ± 0.004 Å
b	6.3614 ± 0.0015 Å
c	37.243 ± 0.009 Å
α	90°
β	96.938 ± 0.003°
γ	90°
Cell volume	3395.3 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508466.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508466.cif
69292	2012-12-07	cif/ Adding structures of 1508466 via cif-deposit CGI script.	1508466.cif