Crystallography Open Database

Information card for entry 4334162

Preview

Coordinates	4334162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H98 O3 Pb S2
Calculated formula	C72 H98 O3 Pb S2
Title of publication	Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate
Authors of publication	Brian D. Rekken; Thomas M. Brown; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3054 - 3062
a	24.531 ± 0.004 Å
b	16.631 ± 0.002 Å
c	16.071 ± 0.002 Å
α	90°
β	100.779 ± 0.003°
γ	90°
Cell volume	6440.9 ± 1.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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 all reflections	0.0418
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179444 (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 4/33/41.	4334162.cif
99976	2014-02-04	cif/ Adding structures of 4334162 via cif-deposit CGI script.	4334162.cif