Crystallography Open Database

Information card for entry 7049503

Preview

Coordinates	7049503.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Th(TIG)2Cl2(THF)
Formula	C30 H64 Cl2 N6 O Th
Calculated formula	C30 H64 Cl2 N6 O Th
Title of publication	Dioxygen reacts with metal-carbon bonds in thorium dialkyls to produce bis(alkoxides).
Authors of publication	Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	17
Pages of publication	5569 - 5573
a	9.9544 ± 0.0016 Å
b	12.545 ± 0.002 Å
c	15.474 ± 0.003 Å
α	85.589 ± 0.008°
β	84.718 ± 0.008°
γ	72.616 ± 0.007°
Cell volume	1833.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0315
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224110 (current)	2019-11-07	cif/ Updating files of 7049498, 7049499, 7049500, 7049501, 7049502, 7049503 Original log message: Adding full bibliography for 7049498--7049503.cif.	7049503.cif
214388	2019-03-28	cif/ Adding structures of 7049498, 7049499, 7049500, 7049501, 7049502, 7049503 via cif-deposit CGI script.	7049503.cif