Crystallography Open Database

Information card for entry 7029950

Preview

Coordinates	7029950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Cl3 N15 O62 Th6
Calculated formula	C24 H76 Cl3 N15 O62 Th6
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	27.424 ± 0.005 Å
b	16.084 ± 0.002 Å
c	23.826 ± 0.004 Å
α	90°
β	123.258 ± 0.008°
γ	90°
Cell volume	8788 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1535
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	0.82
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
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.	7029950.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.	7029950.cif
111039	2014-04-20	cif/ Adding structures of 7029949, 7029950 via cif-deposit CGI script.	7029950.cif