Crystallography Open Database

Information card for entry 4114279

Preview

Coordinates	4114279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 F5 N3 O13 Th2
Calculated formula	C14 H12 F5 N3 O13 Th2
Title of publication	[(Th2F5)(NC7H5O4)2(H2O)][NO3]: An Actinide-Organic Open Framework
Authors of publication	Jong-Young Kim; Alexander J. Norquist; Dermot O'Hare
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	12688 - 12689
a	13.659 ± 0.0006 Å
b	8.427 ± 0.0003 Å
c	18.642 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2145.78 ± 0.16 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n b
Hall space group symbol	-P 2b 2n
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for all reflections	0.0611
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	0.9224
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/4114279.html