Crystallography Open Database

Information card for entry 4504670

Preview

Coordinates	4504670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H53 N2 O99 Si2 Sm5 W22
Calculated formula	C6 H14 N2 O99 Si2 Sm5 W22
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	12.894 ± 0.003 Å
b	13.193 ± 0.003 Å
c	20.591 ± 0.004 Å
α	108.09 ± 0.03°
β	90.69 ± 0.03°
γ	107.79 ± 0.03°
Cell volume	3148.2 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179581 (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 4/50/46.	4504670.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504670.cif
47472	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504670 via cif-deposit CGI script.	4504670.cif