Crystallography Open Database

Information card for entry 4105139

Preview

Coordinates	4105139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Cl5 F Ga N2 P6
Calculated formula	C30 H39 Cl5 F Ga N2 P6
SMILES	[Ga](Cl)([Cl-])(Cl)Cl.P1(N(c2c(C(C)C)cccc2C(C)C)[P+]2(P3P4P2P34)N1c1c(C(C)C)cccc1C(C)C)Cl.c1(ccccc1)F
Title of publication	Preparation of the [(DippNP)~2~(P~4~)~2~]^2+^-Dication by the Reaction of [DippNPCl]2 and a Lewis Acid with P~4~
Authors of publication	Michael H. Holthausen; Jan J. Weigand
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	14210 - 14211
a	12.3398 ± 0.0008 Å
b	12.9936 ± 0.0008 Å
c	24.7548 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3969.1 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178797 (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 4/10/51.	4105139.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105139.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105139.cif
30331	2011-11-11	../uploads/cif-deposit/cod/cif Adding structures of 4105139 via cif-deposit CGI script.	4105139.cif