Crystallography Open Database

Information card for entry 2240444

Preview

Coordinates	2240444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 Ag B F4 N6 O7
Calculated formula	C13 H22 Ag B F4 N6 O7
Title of publication	Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i>^3^]silver(I) tetrafluoridoborate methanol monosolvate
Authors of publication	Palmer, Joshua H.; Upmacis, Rita K.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	3
Pages of publication	284 - 287
a	9.2592 ± 0.001 Å
b	10.5339 ± 0.001 Å
c	12.3995 ± 0.0012 Å
α	106.94 ± 0.011°
β	92.788 ± 0.009°
γ	112.439 ± 0.01°
Cell volume	1051.7 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2240444.cif
132174	2015-02-21	cif/ hkl/ Adding structures of 2240444 via cif-deposit CGI script.	2240444.cif