Crystallography Open Database

Information card for entry 7032817

Preview

Coordinates	7032817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl4 Ga P Se
Calculated formula	C24 H20 Cl4 Ga P Se
SMILES	c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)[Se]c1ccccc1.Cl[Ga](Cl)(Cl)[Cl-]
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	9.6355 ± 0.0004 Å
b	13.5694 ± 0.0005 Å
c	10.0151 ± 0.0004 Å
α	90°
β	102.248 ± 0.002°
γ	90°
Cell volume	1279.65 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7032817.cif
131068	2015-02-04	cif/ Updating files of 7032814, 7032815, 7032816, 7032817 Original log message: Adding full bibliography for 7032814--7032817.cif.	7032817.cif
125485	2014-10-17	cif/ Adding structures of 7032814, 7032815, 7032816, 7032817 via cif-deposit CGI script.	7032817.cif