Crystallography Open Database

Information card for entry 4330570

Preview

Coordinates	4330570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H8 N3 Pd Tl
Calculated formula	C15 H8 N3 Pd Tl
Title of publication	New Dicyano Cyclometalated Compounds Containing Pd(II)-Tl(I) Bonds as Building Blocks in 2D Extended Structures: Synthesis, Structure, and Luminescence Studies
Authors of publication	Violeta Sicilia; Juan Forniés; Sara Fuertes; Antonio Martín
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10581 - 10589
a	15.1048 ± 0.0003 Å
b	24.1782 ± 0.0005 Å
c	7.1984 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2628.91 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0504
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179408 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/05.	4330570.cif
80023	2013-04-06	cif/ Adding structures of 4330570 via cif-deposit CGI script.	4330570.cif