Crystallography Open Database

Information card for entry 4113343

Preview

Coordinates	4113343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Cl4 Ga P3
Calculated formula	C27 H28 Cl4 Ga P3
SMILES	P([P+](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.[Ga](Cl)([Cl-])(Cl)Cl
Title of publication	Diphosphine-Phosphenium Coordination Complexes Representing Monocations with Pendant Donors and Ligand Tethered Dications
Authors of publication	Neil Burford; David E. Herbert; Paul J. Ragogna; Robert McDonald; Michael J. Ferguson
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	17067 - 17073
a	10.8925 ± 0.0004 Å
b	11.9222 ± 0.0004 Å
c	12.5883 ± 0.0004 Å
α	80.674 ± 0.001°
β	78.371 ± 0.001°
γ	70.066 ± 0.001°
Cell volume	1497.51 ± 0.09 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
178904 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/33.	4113343.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113343.cif
65885	2012-09-06	cif/ Adding structures of 4113343 via cif-deposit CGI script.	4113343.cif