Crystallography Open Database

Information card for entry 7018775

Preview

Coordinates	7018775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H84 S6 Th2
Calculated formula	C54 H84 S6 Th2
Title of publication	A bipyridyl thorium metallocene: synthesis, structure and reactivity
Authors of publication	Ren, Wenshan; Song, Haibin; Zi, Guofu; Walter, Marc D.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5965
a	13.0783 ± 0.0008 Å
b	14.466 ± 0.001 Å
c	17.689 ± 0.0015 Å
α	82.529 ± 0.005°
β	83.11 ± 0.005°
γ	70.635 ± 0.004°
Cell volume	3119.9 ± 0.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71075 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/7018775.html