Crystallography Open Database

Information card for entry 7029949

Preview

Coordinates	7029949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H23 Cl4 N3 O26 Th
Calculated formula	C6 H23 Cl4 N3 O26 Th
Title of publication	Structure and stability range of a hexanuclear Th(IV)-glycine complex.
Authors of publication	Hennig, Christoph; Takao, Shinobu; Takao, Koichiro; Weiss, Stephan; Kraus, Werner; Emmerling, Franziska; Scheinost, Andreas C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	41
Pages of publication	12818 - 12823
a	5.447 ± 0.002 Å
b	23.764 ± 0.011 Å
c	20.26 ± 0.009 Å
α	90°
β	91.882 ± 0.011°
γ	90°
Cell volume	2621.1 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	0.926
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
189310 (current)	2016-12-21	cif/7/02/99/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 7029949, 7029950 after consulting the original publication.	7029949.cif
180005	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/99.	7029949.cif
111039	2014-04-20	cif/ Adding structures of 7029949, 7029950 via cif-deposit CGI script.	7029949.cif