Crystallography Open Database

Information card for entry 8102256

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Coordinates	8102256.cif

Structure parameters

Common name	Tri(4-methylimidazolium) trialuminium tetraphosphorou oxide
Chemical name	Tri(4-methylimidazolium) trialuminium tetraphosphorou oxide
Formula	C12 H21 Al3 N6 O16 P4
Calculated formula	C12 H21 Al3 N6 O16 P4
Title of publication	Crystal structure of tri(4-methylimidazolium)trialuminium tetraphosphorous oxide, [Al3P4O16][C4H7N2]3
Authors of publication	Kazumasa Sugiyama; Jyunya Takashima; Tokuhei Tagai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	200
a	8.809 ± 0.0003 Å
b	10.6835 ± 0.0003 Å
c	14.594 ± 0.0006 Å
α	77.387 ± 0.001°
β	88.316 ± 0.001°
γ	80.376 ± 0.001°
Cell volume	1321.41 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	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.	8102256.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102256.cif
12995	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102256 via cif-deposit CGI script.	8102256.cif