Crystallography Open Database

Information card for entry 8103189

Preview

Coordinates	8103189.cif

Structure parameters

Chemical name	diaqua-tri[3,3'-(butane-1,4-diyl)diimidazol-1-ium]octamolybdate
Formula	C30 H50 Mo8 N12 O28
Calculated formula	C30 H50 Mo8 N12 O28
Title of publication	Crystal structure of [3,3'-butylenebis(imidazole-1,1'-diium)]bis[3,3'-butylenebis(imidazol-1-ium)]octamolybdate — water (1:2), [C10H16N4][(C10H15N4)Mo8O26] • 2H2O
Authors of publication	Wei-Qiu Kan; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	497
a	11.3318 ± 0.0003 Å
b	11.812 ± 0.0003 Å
c	12.1403 ± 0.0003 Å
α	60.949 ± 0.002°
β	86.274 ± 0.002°
γ	65.506 ± 0.002°
Cell volume	1273.58 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
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.	8103189.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103189.cif
32532	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103189 via cif-deposit CGI script.	8103189.cif