Crystallography Open Database

Information card for entry 4328001

Preview

Coordinates	4328001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Ag Cu N4 O3
Calculated formula	C13 H19 Ag Cu N4 O3
Title of publication	Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions
Authors of publication	Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1011 - 1019
a	6.8371 ± 0.0003 Å
b	17.1234 ± 0.0007 Å
c	29.0604 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3402.2 ± 0.2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for all reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0301
Weighted residual factors for all reflections included in the refinement	0.0286
Goodness-of-fit parameter for all reflections included in the refinement	1.0672
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4328001.cif
76945	2013-03-22	cif/ Adding structures of 4328001 via cif-deposit CGI script.	4328001.cif