Crystallography Open Database

Information card for entry 4112608

Preview

Coordinates	4112608.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1.(BF4)2.2.5CH2Cl2
Formula	C110.5 H84 Au B2 Cl5 F8 N6 P6 Pd Tl
Calculated formula	C110.5 H84 Au B2 Cl5 F8 N6 P6 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	17.5229 ± 0.0013 Å
b	29.432 ± 0.002 Å
c	19.2201 ± 0.0014 Å
α	90°
β	92.479 ± 0.001°
γ	90°
Cell volume	9903.2 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	10
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	0.0887
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112608.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112608.cif
65017	2012-09-04	cif/ Adding structures of 4112608 via cif-deposit CGI script.	4112608.cif