Crystallography Open Database

Information card for entry 4500485

Preview

Coordinates	4500485.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pr-Sulfate
Formula	C5 H5 N O10 Pr S2
Calculated formula	C5 H5 N O10 Pr S2
Title of publication	Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties
Authors of publication	Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1347
a	5.0354 ± 0.0001 Å
b	7.0079 ± 0.0001 Å
c	16.6321 ± 0.0003 Å
α	88.5°
β	87.94°
γ	75.47°
Cell volume	567.679 ± 0.017 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0182
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
179535 (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 4/50/04.	4500485.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500485.cif
34515	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500484, 4500485, 4500486, 4500487, 4500488 via cif-deposit CGI script.	4500485.cif