Crystallography Open Database

Information card for entry 4506062

Preview

Coordinates	4506062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H10 O23 S4 Y4
Calculated formula	O23 S4 Y4
SMILES	[Y+3].[OH-].S(=O)(=O)([O-])[O-].O
Title of publication	Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains
Authors of publication	Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2567
a	10.2608 ± 0.0004 Å
b	10.7516 ± 0.0004 Å
c	16.5684 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1827.83 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179596 (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 4/50/60.	4506062.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506062.cif
57502	2012-05-18	cif/ Adding structures of 4506062, 4506063 via cif-deposit CGI script.	4506062.cif