Crystallography Open Database

Information card for entry 4316643

Preview

Coordinates	4316643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H39 Cl3 Cu2 N14 O12
Calculated formula	C17 H39 Cl3 Cu2 N14 O12
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	11.9138 ± 0.0009 Å
b	11.9138 ± 0.0009 Å
c	12.0136 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1705.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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