Crystallography Open Database

Information card for entry 4116175

Preview

Coordinates	4116175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H27 Al2 F30 N3 O
Calculated formula	C49.002 H27.01 Al2 F30 N3 O
Title of publication	New Family of Weakly Coordinating Anions
Authors of publication	Robert E. LaPointe; Gordon R. Roof; Khalil A. Abboud; Jerzy Klosin
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	9560 - 9561
a	10.264 ± 0.0005 Å
b	22.276 ± 0.001 Å
c	12.4462 ± 0.0006 Å
α	90°
β	112.857 ± 0.001°
γ	90°
Cell volume	2622.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178932 (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 4/11/61.	4116175.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116175.cif
70754	2013-01-04	cif/ Adding structures of 4116175 via cif-deposit CGI script.	4116175.cif