Crystallography Open Database

Information card for entry 4349837

Preview

Coordinates	4349837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H287 Cl3 Co14 N62 O43 S12
Calculated formula	C165 H159 Cl3 Co14 N57 O38 S12
Title of publication	Thiacalix[4]arene-supported tetradecanuclear cobalt nanocage cluster as precursor to synthesize CoO/Co9S8@CN composite for supercapacitor application
Authors of publication	Shi, Cheng; Chen, Mengwei; Han, Xu; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Zheng, Zhiping
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	6
Pages of publication	1329
a	26.6695 ± 0.0005 Å
b	26.6695 ± 0.0005 Å
c	21.9235 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	13504.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.2122
Weighted residual factors for all reflections included in the refinement	0.2467
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
236885 (current)	2019-11-24	cif/ Adding structures of 4349837 via cif-deposit CGI script.	4349837.cif