Crystallography Open Database

Information card for entry 7114466

Preview

Coordinates	7114466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 F6 N2 O0.5 Th
Calculated formula	C5 H14 F6 N2 O0.5 Th
Title of publication	The first organically templated thorium compounds, [C4N2H12]0.5[ThF5] and [C5N2H14][ThF6]×0.5H2O
Authors of publication	Kim, Jong-Young; Norquist, Alexander J.; O'Hare, Dermot
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	19
Pages of publication	2198 - 2199
a	6.8048 ± 0.0002 Å
b	17.6478 ± 0.0006 Å
c	17.7611 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2132.93 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P c n b
Hall space group symbol	-P 2b 2ac
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	0.838
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7114466.html