Crystallography Open Database

Information card for entry 4067361

Preview

Coordinates	4067361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 P2 Pb S2 Se
Calculated formula	C25 H20 P2 Pb S2 Se
SMILES	[Pb]12[S]=P(C(P(=[S]1)(c1ccccc1)c1ccccc1)=[Se]2)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, and Reactivity of Group 14 Bis(thiophosphinoyl) Metal Complexes
Authors of publication	Leung, Wing-Por; Wan, Chi-Ling; Kan, Kwok-Wai; Mak, Thomas C. W.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	814
a	13.317 ± 0.0019 Å
b	10.7311 ± 0.0015 Å
c	18.023 ± 0.003 Å
α	90°
β	107.877 ± 0.003°
γ	90°
Cell volume	2451.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1539
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1635
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
178564 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73.	4067361.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067361.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067361.cif
34175	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067361 via cif-deposit CGI script.	4067361.cif