Crystallography Open Database

Information card for entry 4326413

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Coordinates	4326413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Cl12 O42 Th6
Calculated formula	C24 H24 Cl12 O42 Th6
Title of publication	Thorium(IV) Molecular Clusters with a Hexanuclear Th Core
Authors of publication	Karah E. Knope; Richard E. Wilson; Monica Vasiliu; David A. Dixon; L. Soderholm
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9696 - 9704
a	11.8384 ± 0.0011 Å
b	12.558 ± 0.0011 Å
c	23.747 ± 0.002 Å
α	83.605 ± 0.001°
β	88.197 ± 0.001°
γ	62.479 ± 0.001°
Cell volume	3110.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1139
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179367 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/64.	4326413.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326413.cif
48584	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326413 via cif-deposit CGI script.	4326413.cif