Crystallography Open Database

Information card for entry 4334221

Preview

Coordinates	4334221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H37 N6 O29 S7 Sm3
Calculated formula	C12 H36 N6 O29 S7 Sm3
Title of publication	(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings
Authors of publication	Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3253 - 3258
a	14.3551 ± 0.0008 Å
b	14.3551 ± 0.0008 Å
c	10.1132 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	1804.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0462
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334221.cif
100036	2014-02-04	cif/ Adding structures of 4334221 via cif-deposit CGI script.	4334221.cif