Crystallography Open Database

Information card for entry 4114377

Preview

Coordinates	4114377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H35 Cl5 Ga P3
Calculated formula	C42 H34 Cl4 Ga P3
SMILES	[Ga](Cl)([Cl-])(Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1c(P(P(c2ccccc2)c2ccccc2)c2ccccc2)cccc1
Title of publication	Phosphine Coordination Complexes of the Diphenylphosphenium Cation: A Versatile Synthetic Methodology for P-P Bond Formation
Authors of publication	Neil Burford; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14404 - 14410
a	9.881 ± 0.001 Å
b	14.6051 ± 0.0014 Å
c	28.467 ± 0.003 Å
α	90°
β	91.502 ± 0.002°
γ	90°
Cell volume	4106.7 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114377.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114377.cif
67690	2012-10-02	cif/ Adding structures of 4114377 via cif-deposit CGI script.	4114377.cif