Crystallography Open Database

Information card for entry 4500486

Preview

Coordinates	4500486.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nd-Sulfate
Formula	C10 H10 N2 Nd2 O18 S4
Calculated formula	C10 H10 N2 Nd2 O18 S4
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	8.0119 ± 0.0005 Å
b	9.4075 ± 0.0006 Å
c	14.9538 ± 0.0009 Å
α	79.439 ± 0.001°
β	83.749 ± 0.001°
γ	73.988 ± 0.001°
Cell volume	1062.99 ± 0.11 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	0.0249
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	4500486.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500486.cif
34515	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500484, 4500485, 4500486, 4500487, 4500488 via cif-deposit CGI script.	4500486.cif