Crystallography Open Database

Information card for entry 4342615

Preview

Coordinates	4342615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N2 O10 Th
Calculated formula	C22 H22 N2 O10 Th
Title of publication	Thorium Terephthalates Coordination Polymers Synthesized in Solvothermal DMF/H2O System.
Authors of publication	Falaise, Clément; Charles, Jean-Sébastien; Volkringer, Christophe; Loiseau, Thierry
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	5
Pages of publication	2235
a	15.3843 ± 0.0002 Å
b	11.5872 ± 0.0001 Å
c	13.4949 ± 0.0002 Å
α	90°
β	101.713 ± 0.001°
γ	90°
Cell volume	2355.52 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0318
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179529 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26.	4342615.cif
132696	2015-03-04	cif/ Adding structures of 4342615 via cif-deposit CGI script.	4342615.cif