Crystallography Open Database

Information card for entry 7032816

Preview

Coordinates	7032816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H32 F6 P S Sb
Calculated formula	C18 H32 F6 P S Sb
Title of publication	Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.
Authors of publication	Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	110 - 118
a	8.299 ± 0.0006 Å
b	17.4242 ± 0.0013 Å
c	15.3765 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2223.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.1729
Residual factor for significantly intense reflections	0.1274
Weighted residual factors for significantly intense reflections	0.2614
Weighted residual factors for all reflections included in the refinement	0.2782
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
180034 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28.	7032816.cif
131068	2015-02-04	cif/ Updating files of 7032814, 7032815, 7032816, 7032817 Original log message: Adding full bibliography for 7032814--7032817.cif.	7032816.cif
125485	2014-10-17	cif/ Adding structures of 7032814, 7032815, 7032816, 7032817 via cif-deposit CGI script.	7032816.cif