Crystallography Open Database

Information card for entry 4003887

Preview

Coordinates	4003887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Co5 N2 O24 S2
Calculated formula	C10 H28 Co5 N2 O24 S2
Title of publication	“Stagomé” Lattice: The Missing Member of the Star-Kagomé Family
Authors of publication	Perez, Jem Valerie; Sorolla, Maurice; Wang, Xiqu; Jacobson, Allan J.
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	6
Pages of publication	2173 - 2177
a	10.9694 ± 0.0011 Å
b	8.41 ± 0.0008 Å
c	16.0703 ± 0.0016 Å
α	90°
β	107.488 ± 0.003°
γ	90°
Cell volume	1414 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0191
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263595 (current)	2021-04-04	cif/ Updating files of 4003887 Original log message: Adding full bibliography for 4003887.cif.	4003887.cif
263012	2021-03-13	cif/ Adding structures of 4003887 via cif-deposit CGI script.	4003887.cif