Crystallography Open Database

Information card for entry 4321641

Preview

Coordinates	4321641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 Ag B11 Cl11
Calculated formula	Ag B12.24 Cl11.28
Title of publication	Weakly Coordinating Nature of a Carborane Cage Bearing Different Halogen Atoms. Synthesis and Structural Characterization of Icosahedral Mixed Halocarborane Anions, 1-H-CB11Y5X6- (X, Y = Cl, Br, I)
Authors of publication	Chi-Wing Tsang; Qingchuan Yang; Eric Tung-Po Sze; Thomas C. W. Mak; Dominic T. W. Chan; Zuowei Xie
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5851 - 5858
a	12.4887 ± 0.0014 Å
b	12.4887 ± 0.0014 Å
c	12.4887 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1947.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179319 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/16.	4321641.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321641.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321641.cif
19405	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321641 via cif-deposit CGI script.	4321641.cif