Crystallography Open Database

Information card for entry 8102649

Preview

Coordinates	8102649.cif

Structure parameters

Formula	C108 H90 N36 O258 P6 W72
Calculated formula	C54 N18 O249 P6 W72
Title of publication	Crystal structure of tri(2-acetylpyrazinium) dodecatungstophosphate, [C6H8N2O]3[PW12O40]
Authors of publication	Hai-Xing Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	243
a	18.3023 ± 0.0016 Å
b	18.3023 ± 0.0016 Å
c	24.937 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7234.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102649.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102649.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102649.cif
13388	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102649 via cif-deposit CGI script.	8102649.cif