Crystallography Open Database

Information card for entry 4343162

Preview

Coordinates	4343162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 B9 I P
Calculated formula	C20 H25 B9 I P
Title of publication	Novel Synthetic Approach to Charge-Compensated Phosphonio-nido-Carboranes. Synthesis and Structural Characterization of Neutral Mono and Bis(Phosphonio) nido-ortho-Carboranes.
Authors of publication	Kabytaev, Kuanysh Z.; Safronov, Alexander V.; Sevryugina, Yulia V.; Barnes, Charles L.; Jalisatgi, Satish S.; Hawthorne, M. Frederick
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	4143 - 4150
a	16.2403 ± 0.0004 Å
b	22.511 ± 0.0005 Å
c	13.1895 ± 0.0003 Å
α	90°
β	93.389 ± 0.001°
γ	90°
Cell volume	4813.46 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0359
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
137919 (current)	2015-06-04	cif/ Adding structures of 4343162 via cif-deposit CGI script.	4343162.cif