Crystallography Open Database

Information card for entry 2019297

2019296 << 2019297 >> 2019298

Preview

Coordinates	2019297.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[diaqua-μ~4~-oxydiacetato-di-μ~4~-sulfato-dipraseodymium(III)] hemihydrate]
Formula	C4 H9 O15.5 Pr2 S2
Calculated formula	C4 H9 O15.5 Pr2 S2
Title of publication	Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid
Authors of publication	Prasad, Thazhe Kootteri; Rajasekharan, M. V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1503 - 1508
a	6.618 ± 0.002 Å
b	8.527 ± 0.003 Å
c	13.111 ± 0.004 Å
α	86.34 ± 0.005°
β	89.487 ± 0.005°
γ	68.617 ± 0.005°
Cell volume	687.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0216
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019297.cif
92133	2014-01-12	cif/ Adding structures of 2019297, 2019298, 2019299 via cif-deposit CGI script.	2019297.cif