Crystallography Open Database

Information card for entry 2019242

2019241 << 2019242 >> 2019243

Preview

Coordinates	2019242.cif
Original IUCr paper	HTML

Structure parameters

Common name	4-Iodoanilinium pentamolybdate
Chemical name	Poly[bis(4-iodoanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]
Formula	C12 H14 I2 Mo5 N2 O16
Calculated formula	C12 H14 I2 Mo5 N2 O16
Title of publication	Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization
Authors of publication	Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1367 - 1372
a	32.284 ± 0.002 Å
b	5.6274 ± 0.0003 Å
c	14.3066 ± 0.0008 Å
α	90°
β	104.329 ± 0.005°
γ	90°
Cell volume	2518.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for all reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0503
Goodness-of-fit parameter for all reflections	1.32
Method of determination	powder diffraction
Diffraction radiation wavelength	1.78992 Å
Diffraction radiation type	CoKα1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019242.cif
91168	2013-12-09	cif/ Adding structures of 2019241, 2019242 via cif-deposit CGI script.	2019242.cif