Crystallography Open Database

Information card for entry 4504661

Preview

Coordinates	4504661.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Triaquabis{pyridine-2,6-dicarboxylato}cerium(IV)tertahydrate
Formula	C14 H20 Ce N2 O15
Calculated formula	C14 H20 Ce N2 O15
Title of publication	A Novel Water Octamer in Ce(dipic)2(H2O)3·4H2O: Crystallographic, Thermal, and Theoretical Studies
Authors of publication	Prasad, T. K.; Rajasekharan, M. V.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	488
a	10.0048 ± 0.0008 Å
b	10.4951 ± 0.0008 Å
c	10.6453 ± 0.0008 Å
α	93.816 ± 0.001°
β	107.843 ± 0.001°
γ	93.688 ± 0.001°
Cell volume	1057.42 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0175
Residual factor for significantly intense reflections	0.0173
Weighted residual factors for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.241
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
179581 (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 4/50/46.	4504661.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504661.cif
47465	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504661 via cif-deposit CGI script.	4504661.cif