Crystallography Open Database

Information card for entry 1574767

Preview

Coordinates	1574767.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[tetraaqua(μ~3~-4-hydroxypyridine-2,6-dicarboxylato)di-μ~2~-oxalato-dipraseodymium(III)] 4.29-hydrate]
Formula	C11 H17 N O21.294 Pr2
Calculated formula	C11 H17 N O21.294 Pr2
Title of publication	Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate]
Authors of publication	Khurshid, Aaqib; Rujiwatra, Apinpus; Chuasaard, Thammanoon
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	5
Pages of publication	x250456
a	9.9236 ± 0.0003 Å
b	10.3042 ± 0.0004 Å
c	12.9748 ± 0.0005 Å
α	66.684 ± 0.004°
β	80.942 ± 0.003°
γ	66.66 ± 0.003°
Cell volume	1118.69 ± 0.08 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	0.0509
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574767.cif
299891	2025-05-31	cif/ Adding structures of 1574767 via cif-deposit CGI script.	1574767.cif