Crystallography Open Database

Information card for entry 1561203

Preview

Coordinates	1561203.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	'lanthanum niobyl tris-dimethylsulfoxide tris-oxalate'
Chemical name	'lanthanum niobyl tris-dimethylsulfoxide tris-oxalate'
Formula	C12 H18 La Nb O16 S3
Calculated formula	C12 H18 La Nb O16 S3
Title of publication	Rare earth niobate coordination polymers
Authors of publication	Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E.S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	259
Pages of publication	48 - 56
a	9.7103 ± 0.0006 Å
b	14.7858 ± 0.001 Å
c	17.0221 ± 0.0011 Å
α	90°
β	97.483 ± 0.005°
γ	90°
Cell volume	2423.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263247 (current)	2021-03-23	cif/ Adding structures of 1561203 via cif-deposit CGI script.	1561203.cif