Crystallography Open Database

Information card for entry 7706423

Preview

Coordinates	7706423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H53 N3 Na O79 Si Tb3 W12
Calculated formula	C21 H53.0004 N3 Na O79.0003 Si Tb3 W12
Title of publication	Supramolecular network of a framework material supported by the anion-π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights.
Authors of publication	Samaniyan, Maryam; Mirzaei, Masoud; Gomila, Rosa M.; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Mague, Joel T.; Pour, Ali Nakhaei; Frontera, Antonio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	5
Pages of publication	1895 - 1900
a	18.08 ± 0.002 Å
b	18.08 ± 0.002 Å
c	20.905 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5918 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262625 (current)	2021-03-05	cif/ Updating files of 7706423 Original log message: Adding full bibliography for 7706423.cif.	7706423.cif
260967	2021-01-15	cif/ Adding structures of 7706423 via cif-deposit CGI script.	7706423.cif