Crystallography Open Database

Information card for entry 4316641

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Coordinates	4316641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 N20 Ni2 S2
Calculated formula	C24 H40 N20 Ni2 S2
Title of publication	Theoretical and Experimental Study of the Effectiveness of the 5-Pyrimidyl-tetrazolate Bridging Ligand in Mediating Magnetic Exchange Interactions
Authors of publication	Antonio J. Mota; Antonio Rodríguez-Diéguez; M. Ángeles Palacios; Juan M. Herrera; Dominique Luneau; Enrique Colacio
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8986 - 8996
a	23.008 ± 0.004 Å
b	9.016 ± 0.005 Å
c	17.759 ± 0.005 Å
α	90°
β	113.552 ± 0.015°
γ	90°
Cell volume	3377 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	0.697
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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