Crystallography Open Database

Information card for entry 4112607

Preview

Coordinates	4112607.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1.(PF6)2.2CHCl3.2CH2Cl2
Formula	C112 H84 Au Cl10 F12 N6 P8 Pd Tl
Calculated formula	C112 H84 Au Cl10 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	17.1939 ± 0.0005 Å
b	30.6021 ± 0.0008 Å
c	20.6077 ± 0.0006 Å
α	90°
β	90.02 ± 0.001°
γ	90°
Cell volume	10843.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.1605
Residual factor for significantly intense reflections	0.1572
Weighted residual factors for significantly intense reflections	0.3925
Weighted residual factors for all reflections included in the refinement	0.393
Goodness-of-fit parameter for all reflections included in the refinement	5.671
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.	4112607.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112607.cif
65016	2012-09-04	cif/ Adding structures of 4112607 via cif-deposit CGI script.	4112607.cif