Crystallography Open Database

Information card for entry 4503549

Preview

Coordinates	4503549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N4 O12 Th
Calculated formula	C12 H9 N4 O12.21 Th
Title of publication	Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems
Authors of publication	Frisch, Mark; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	8
Pages of publication	2921
a	15.484 ± 0.0008 Å
b	7.6582 ± 0.0004 Å
c	28.6993 ± 0.0015 Å
α	90°
β	97.906 ± 0.001°
γ	90°
Cell volume	3370.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0644
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503549.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503549.cif
41623	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503545, 4503546, 4503547, 4503548, 4503549 via cif-deposit CGI script.	4503549.cif