Crystallography Open Database

Information card for entry 4112606

Preview

Coordinates	4112606.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1.(PF6)2.3C6H6
Formula	C126 H87 Au F12 N6 P8 Pd Tl
Calculated formula	C126 H87 Au F12 N6 P8 Pd Tl
Title of publication	Mixed-Metal Metallocryptands. Short Metal-Metal Separations Strengthened by a Dipolar Interaction
Authors of publication	Vincent J. Catalano; Mark A. Malwitz
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	6560 - 6561
a	53.796 ± 0.003 Å
b	15.2193 ± 0.0007 Å
c	29.8943 ± 0.0013 Å
α	90°
β	109.909 ± 0.001°
γ	90°
Cell volume	23012.8 ± 1.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.415
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
178897 (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 4/11/26.	4112606.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112606.cif
65015	2012-09-04	cif/ Adding structures of 4112606 via cif-deposit CGI script.	4112606.cif