Crystallography Open Database

Information card for entry 4504668

Preview

Coordinates	4504668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H39 O56.25 S Si Sm2.5 W11
Calculated formula	C2 H4 O56.25 S Si Sm2.5 W11
Title of publication	Syntheses and Structures of One- and Two-Dimensional Organic−Inorganic Hybrid Rare Earth Derivatives Based on Monovacant Keggin-Type Polyoxotungstates
Authors of publication	Wang, Jing-Ping; Zhao, Jun-Wei; Duan, Xian-Ying; Niu, Jing-Yang
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	507
a	23.602 ± 0.005 Å
b	11.601 ± 0.002 Å
c	23.545 ± 0.005 Å
α	90°
β	109.05 ± 0.03°
γ	90°
Cell volume	6094 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504668.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504668.cif
47470	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504668 via cif-deposit CGI script.	4504668.cif