Crystallography Open Database

Information card for entry 7022032

7022031 << 7022032 >> 7022033

Preview

Coordinates	7022032.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bisisonicotinate tretaethyleneglycol
Formula	C42 H48 Ag2 F6 N4 O20 S2
Calculated formula	C42 H48 Ag2 F6 N4 O20 S2
Title of publication	Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.
Authors of publication	Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	1
Pages of publication	217 - 231
a	10.0591 ± 0.0014 Å
b	10.3383 ± 0.0014 Å
c	14.054 ± 0.002 Å
α	76.82 ± 0.012°
β	83.149 ± 0.012°
γ	64.79 ± 0.01°
Cell volume	1287.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.2093
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	0.754
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
179925 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20.	7022032.cif
89949	2013-11-17	cif/ Adding structures of 7022028, 7022029, 7022030, 7022031, 7022032, 7022033, 7022034, 7022035 via cif-deposit CGI script.	7022032.cif