Crystallography Open Database

Information card for entry 4074196

Preview

Coordinates	4074196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H76 K2 N6 O4 Th
Calculated formula	C84 H76 K2 N6 O4 Th
Title of publication	Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species
Authors of publication	Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	16
Pages of publication	3856
a	11.975 ± 0.006 Å
b	13.569 ± 0.007 Å
c	25.327 ± 0.012 Å
α	93.768 ± 0.007°
β	92.503 ± 0.007°
γ	113.128 ± 0.007°
Cell volume	3766 ± 3 Å³
Cell temperature	207 ± 2 K
Ambient diffraction temperature	207 ± 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	0.045
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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