Crystallography Open Database

Information card for entry 4334572

Preview

Coordinates	4334572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 N8 Pb Pt S4
Calculated formula	C28 H16 N8 Pb Pt S4
SMILES	C(#N)S[Pt](SC#N)(SC#N)SC#N.c1ccc2c3[n]1[Pb]1([n]4c3c(cc2)ccc4)[n]2cccc3c2c2[n]1cccc2cc3
Title of publication	Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks
Authors of publication	Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4842 - 4852
a	16.106 ± 0.007 Å
b	15.435 ± 0.007 Å
c	13.475 ± 0.006 Å
α	90°
β	106.184 ± 0.006°
γ	90°
Cell volume	3217 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
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	0.0714
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179448 (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 4/33/45.	4334572.cif
100440	2014-02-06	cif/ Adding structures of 4334572 via cif-deposit CGI script.	4334572.cif