Crystallography Open Database

Information card for entry 7020115

7020114 << 7020115 >> 7020116

Preview

Coordinates	7020115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(In(18-crown-6)(PhF)2)2(Al(OC(CF3)3)4)2.0.5PhF
Chemical name	[In(18-crown-6)(PhF)2]2[Al(OC(CF3)3)4]2.0.5PhF
Formula	C166 H141 Al4 F153 In4 O40
Calculated formula	C166 H141 Al4 F153 In4 O40
Title of publication	Isolated cationic crown ether complexes of gallium(I) and indium(I).
Authors of publication	Higelin, Alexander; Haber, Christoph; Meier, Stefan; Krossing, Ingo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	39
Pages of publication	12011 - 12015
a	19.7449 ± 0.0003 Å
b	15.9218 ± 0.0002 Å
c	35.6744 ± 0.0006 Å
α	90°
β	95.932 ± 0.001°
γ	90°
Cell volume	11155.1 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0761
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1519
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179905 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/01.	7020115.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020115.cif
71502	2013-01-20	cif/ Adding structures of 7020115, 7020116 via cif-deposit CGI script.	7020115.cif