Crystallography Open Database

Information card for entry 7122937

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Coordinates	7122937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Co N6 S1.5 Se0.5
Calculated formula	C22 H20 Co N6 S1.486 Se0.514
Title of publication	Tuning of the exchange interaction and the Curie temperature by mixed crystal formation of the bridging anionic ligands
Authors of publication	Neumann, Tristan; Rams, Michał; Tomkowicz, Zbigniew; Jess, Inke; Nather, Christian
Journal of publication	Chemical Communications
Year of publication	2019
a	12.3437 ± 0.0005 Å
b	13.0497 ± 0.0004 Å
c	15.0003 ± 0.0007 Å
α	90°
β	107.64 ± 0.003°
γ	90°
Cell volume	2302.66 ± 0.16 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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