Crystallography Open Database

Information card for entry 4104828

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Coordinates	4104828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 B Co4 F4 P4 S4
Calculated formula	C36 H84 B Co4 F4 P4 S4
Title of publication	Cubane-Type Co4S4 Clusters: Synthesis, Redox Series, and Magnetic Ground States
Authors of publication	Liang Deng; Eckhard Bill; Karl Wieghardt; R. H. Holm
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	11213 - 11221
a	12.4418 ± 0.0011 Å
b	12.4418 ± 0.0011 Å
c	16.575 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2565.8 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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