Crystallography Open Database

Information card for entry 7128210

Preview

Coordinates	7128210.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Th(TPTA)4
Formula	C60 H88 N4 O4 Th
Calculated formula	C60 H88 N4 O4 Th
Title of publication	Thorium amidates function as single-source molecular precursors for thorium dioxide.
Authors of publication	Straub, Mark D.; Ouellette, Erik T.; Boreen, Michael A.; Branson, Jacob A.; Ditter, Alex; Kilcoyne, A. L. David; Lohrey, Trevor D.; Marcus, Matthew A.; Paley, Maria; Ramirez, José; Shuh, David K.; Minasian, Stefan G.; Arnold, John
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	40
Pages of publication	4954 - 4957
a	26.5272 ± 0.0017 Å
b	11.0968 ± 0.0007 Å
c	21.0598 ± 0.0013 Å
α	90°
β	107.646 ± 0.004°
γ	90°
Cell volume	5907.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.489
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265886 (current)	2021-06-05	cif/ Updating files of 7128209, 7128210, 7128211 Original log message: Adding full bibliography for 7128209--7128211.cif.	7128210.cif
264344	2021-04-21	cif/ Adding structures of 7128209, 7128210, 7128211 via cif-deposit CGI script.	7128210.cif