Crystallography Open Database

Information card for entry 4111574

Preview

Coordinates	4111574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H104 Co4 O16
Calculated formula	C52 H104 Co4 O16
Title of publication	Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co4O4 Core with Co(II) in Tetrahedral and Octahedral Environments
Authors of publication	John F. Berry; F. Albert Cotton; Chun Y. Liu; Tongbu Lu; Carlos A. Murillo; Boris S. Tsukerblat; Dino Villagrán; Xiaoping Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	4895 - 4902
a	13.3078 ± 0.0007 Å
b	31.0865 ± 0.0017 Å
c	15.9772 ± 0.0008 Å
α	90°
β	93.301 ± 0.001°
γ	90°
Cell volume	6598.7 ± 0.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4111574.html