Crystallography Open Database

Information card for entry 4328433

Preview

Coordinates	4328433.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	8-iodo-ortho-carborane
Formula	C2 H11 B10 I
Calculated formula	C2 H11 B10 I
Title of publication	Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.
Authors of publication	Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2629 - 2637
a	13.0692 ± 0.0003 Å
b	7.0568 ± 0.0002 Å
c	22.1755 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2045.17 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (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 4/32/84.	4328433.cif
77399	2013-03-26	cif/ Adding structures of 4328433 via cif-deposit CGI script.	4328433.cif