Crystallography Open Database

Information card for entry 4321205

Preview

Coordinates	4321205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Ag3 B18 Br18 N O4
Calculated formula	C18 H22 Ag3 B18 Br18 N O4
Title of publication	Synthesis and Structural Characterization of Highly Chlorinated, Brominated, Iodinated, and Methylated Carborane Anions, 1-H-CB9X9-, 1-NH2-CB9X9- (X = Cl, Br, I), and 1-H-CB9(CH3)9-
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	3582 - 3589
a	18.848 ± 0.002 Å
b	16.323 ± 0.002 Å
c	17.947 ± 0.0016 Å
α	90°
β	96.647 ± 0.007°
γ	90°
Cell volume	5484.4 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
179315 (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 4/32/12.	4321205.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321205.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321205.cif
18555	2011-05-02	../uploads/cif-deposit/cod/cif Adding structures of 4321205 via cif-deposit CGI script.	4321205.cif