Crystallography Open Database

Information card for entry 7239231

Preview

Coordinates	7239231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H82 Cl4 Hg2 N2 O2 P4
Calculated formula	C48 H82 Cl4 Hg2 N2 O2 P4
Title of publication	Phosphanyl-substituted π-excess σ2P heterocycles: Coordination behaviour of 2-di-tert-butylphosphanyl-1-neopentyl-1,3-benzazaphosphole towards CuCl, HgCl2 and [Rh(COD)2]BF4
Authors of publication	Ghalib, Mohammed; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	39
Pages of publication	17726
a	9.7769 ± 0.0004 Å
b	12.0198 ± 0.0005 Å
c	12.1405 ± 0.0005 Å
α	97.106 ± 0.004°
β	97.676 ± 0.004°
γ	103.809 ± 0.004°
Cell volume	1354.99 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
244609 (current)	2019-11-28	cif/ Adding structures of 7239231, 7239232 via cif-deposit CGI script.	7239231.cif