Crystallography Open Database

Information card for entry 4321204

Preview

Coordinates	4321204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Ag B9 Br9
Calculated formula	C7 H7 Ag B9 Br9
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	12.716 ± 0.003 Å
b	12.726 ± 0.003 Å
c	14.638 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2368.8 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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.	4321204.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321204.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321204.cif
18554	2011-05-02	../uploads/cif-deposit/cod/cif Adding structures of 4321204 via cif-deposit CGI script.	4321204.cif