Crystallography Open Database

Information card for entry 7022033

7022032 << 7022033 >> 7022034

Preview

Coordinates	7022033.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bisnicotinate tetraethyleneglycol
Formula	C42 H56 Ag2 N6 O22
Calculated formula	C42 H56 Ag2 N6 O22
SMILES	N(=O)(=O)[O-].[Ag]1[n]2cc(ccc2)C(=O)OCCOCCOCCOCCOC(=O)c2ccc[n]([Ag][n]3cc(ccc3)C(=O)OCCOCCOCCOCCOC(=O)c3ccc[n]1c3)c2.CO.N(=O)(=O)[O-].CO
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	9.548 ± 0.0005 Å
b	8.1661 ± 0.0003 Å
c	31.3729 ± 0.0015 Å
α	90°
β	91.197 ± 0.004°
γ	90°
Cell volume	2445.6 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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.	7022033.cif
89949	2013-11-17	cif/ Adding structures of 7022028, 7022029, 7022030, 7022031, 7022032, 7022033, 7022034, 7022035 via cif-deposit CGI script.	7022033.cif