Crystallography Open Database

Information card for entry 4327999

Preview

Coordinates	4327999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Cu2 N8 Ni O4
Calculated formula	C22 H26 Cu2 N8 Ni O4
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	7.4181 ± 0.0018 Å
b	13.345 ± 0.003 Å
c	13.526 ± 0.003 Å
α	90°
β	100.446 ± 0.004°
γ	90°
Cell volume	1316.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0429
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179382 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/79.	4327999.cif
76943	2013-03-22	cif/ Adding structures of 4327999 via cif-deposit CGI script.	4327999.cif