Crystallography Open Database

Information card for entry 4071705

Preview

Coordinates	4071705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 P S3
Calculated formula	C19 H17 P S3
Title of publication	The Phosphaalkene-like Reactivity of Dithienophosphinines
Authors of publication	Huy, Ngoc Hoa Tran; Donnadieu, Bruno; Mathey, François
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	4005
a	8.0053 ± 0.0003 Å
b	8.6885 ± 0.0004 Å
c	14.3922 ± 0.0009 Å
α	103.068 ± 0.004°
β	92.171 ± 0.003°
γ	114.772 ± 0.002°
Cell volume	875.37 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
178606 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17.	4071705.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071705.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071705.cif
43988	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071705 via cif-deposit CGI script.	4071705.cif