Crystallography Open Database

Information card for entry 4068473

Preview

Coordinates	4068473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H11.5 F9 O P S2
Calculated formula	C29.5 H11.5 F9 O P S2
Title of publication	Highly Fluorinated Dithieno[3,2-b:2′,3′-d]phospholes with Stabilized LUMO Levels
Authors of publication	Ren, Yi; Dienes, Yvonne; Hettel, Sonja; Parvez, Masood; Hoge, Berthold; Baumgartner, Thomas
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	734
a	8.872 ± 0.003 Å
b	10.929 ± 0.004 Å
c	13.668 ± 0.005 Å
α	76.85 ± 0.02°
β	81.9 ± 0.02°
γ	88.95 ± 0.02°
Cell volume	1277.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068473.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068473.cif
39781	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068473 via cif-deposit CGI script.	4068473.cif