Crystallography Open Database

Information card for entry 7053895

Preview

Coordinates	7053895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H68 Ag2 N10 O22
Calculated formula	C40 H68 Ag2 N10 O22
Title of publication	Synthesis, crystal structure investigation, DFT analyses and antimicrobial studies of silver(i) complexes with N,N,N′,N′′-tetrakis(2-hydroxyethyl/propyl) ethylenediamine and tris(2-hydroxyethyl)amine
Authors of publication	Kumar, Rakesh; Obrai, Sangeeta; Kaur, Amanpreet; Hundal, Maninder Singh; Meehnian, Harmanpreet; Jana, Asim Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	3
Pages of publication	1186
a	12.796 ± 0.001 Å
b	15.621 ± 0.002 Å
c	13.283 ± 0.003 Å
α	90°
β	94.297 ± 0.002°
γ	90°
Cell volume	2647.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180092 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38.	7053895.cif
105633	2014-03-12	cif/ Adding structures of 7053894, 7053895, 7053896 via cif-deposit CGI script.	7053895.cif