Crystallography Open Database

Information card for entry 4503547

Preview

Coordinates	4503547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 N3 O17 Th
Calculated formula	C21 H13 N3 O17 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	7.9925 ± 0.0005 Å
b	9.3928 ± 0.0006 Å
c	9.4723 ± 0.0006 Å
α	69.789 ± 0.001°
β	84.958 ± 0.001°
γ	69.425 ± 0.001°
Cell volume	624.3 ± 0.07 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0226
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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.	4503547.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503547.cif
41623	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503545, 4503546, 4503547, 4503548, 4503549 via cif-deposit CGI script.	4503547.cif