Crystallography Open Database

Information card for entry 4347390

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Coordinates	4347390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H60 B6 Co4 F24 N32
Calculated formula	C80 H60 B6 Co4 F24 N32
Title of publication	Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 ×2] Co4 Grid Complexes.
Authors of publication	Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4362 - 4372
a	24.7367 ± 0.0004 Å
b	24.7367 ± 0.0004 Å
c	36.3344 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	22233.2 ± 0.7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0738
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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