Crystallography Open Database

Information card for entry 4342037

4342036 << 4342037 >> 4342038

Preview

Coordinates	4342037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H102 Fe4 N12 O51 Th2
Calculated formula	C52 H102 Fe4 N12 O51 Th2
Title of publication	Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems.
Authors of publication	Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1395 - 1404
a	10.0478 ± 0.0019 Å
b	11.179 ± 0.0016 Å
c	19.543 ± 0.003 Å
α	105.371 ± 0.005°
β	90.295 ± 0.006°
γ	106.281 ± 0.005°
Cell volume	2024.3 ± 0.6 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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/4342037.html