Crystallography Open Database

Information card for entry 4328432

Preview

Coordinates	4328432.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-Iododecaborane
Formula	B10 H13 I
Calculated formula	B10 H13 I
SMILES	I[B]1234[BH]567[BH]891[BH]1%105[BH]5%119[BH]948[BH]43([BH]26([BH]27%10[BH]15([H]2)[H]%11)[H]4)[H]9
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	11.4134 ± 0.0009 Å
b	6.9936 ± 0.0005 Å
c	13.4916 ± 0.001 Å
α	90°
β	109.326 ± 0.001°
γ	90°
Cell volume	1016.23 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0333
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4328432.cif
77398	2013-03-26	cif/ Adding structures of 4328432 via cif-deposit CGI script.	4328432.cif