Crystallography Open Database

Information card for entry 4102776

Preview

Coordinates	4102776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H53 B Cl0.06 F20 N2 P
Calculated formula	C56 H53 B Cl0.062 F20 N2 P
Title of publication	A Crystalline Phosphinyl Radical Cation
Authors of publication	Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10262 - 10263
a	11.4126 ± 0.0013 Å
b	13.1288 ± 0.0015 Å
c	18.984 ± 0.002 Å
α	109.283 ± 0.002°
β	91.586 ± 0.002°
γ	100.116 ± 0.002°
Cell volume	2631.9 ± 0.5 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	0.1029
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178773 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27.	4102776.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102776.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102776.cif
25693	2011-09-13	../uploads/cif-deposit/cod/cif Adding structures of 4102776 via cif-deposit CGI script.	4102776.cif