Crystallography Open Database

Information card for entry 7132101

Preview

Coordinates	7132101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H50 B14 Ti2
Calculated formula	C21 H50 B14 Ti2
Title of publication	16-vertex Oblato-Hypho-Titanaborane [(Cp*Ti)2B14H18]
Authors of publication	Kar, Sourav; Bairagi, Subhash; Halet, Jean-François; Ghosh, Sundargopal
Journal of publication	Chemical Communications
Year of publication	2023
a	10.4697 ± 0.0007 Å
b	15.0305 ± 0.0011 Å
c	20.0992 ± 0.0015 Å
α	90°
β	103.344 ± 0.004°
γ	90°
Cell volume	3077.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1216
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.2229
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132101.html