Crystallography Open Database

Information card for entry 7128413

Preview

Coordinates	7128413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15.33 Co1.67 N2 O9.33 S
Calculated formula	C12 H8 Co1.66667 N2 O9.33317 S
Title of publication	A pentanuclear {Co<sub>5</sub>} cluster motif forming a capped breathing kagomé lattice.
Authors of publication	Du, Shaowu; Cui, Meiyan; He, Zhangzhen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	54
Pages of publication	6616 - 6619
a	15.469 ± 0.004 Å
b	15.469 ± 0.004 Å
c	14.15 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	2932.3 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.248
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268601 (current)	2021-09-06	cif/ Updating files of 7128413 Original log message: Adding full bibliography for 7128413.cif.	7128413.cif
265797	2021-06-05	cif/ Adding structures of 7128413 via cif-deposit CGI script.	7128413.cif