Crystallography Open Database

Information card for entry 7242864

Preview

Coordinates	7242864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H66 Cl4 Co14 N30 O25 S12
Calculated formula	C108 H66 Cl4 Co14 N30 O25 S12
Title of publication	Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units
Authors of publication	Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	24
Pages of publication	4382 - 4388
a	25.8926 ± 0.0009 Å
b	25.8926 ± 0.0009 Å
c	18.9542 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	11004.9 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
267103 (current)	2021-07-05	cif/ Updating files of 7242862, 7242863, 7242864, 7242865 Original log message: Adding full bibliography for 7242862--7242865.cif.	7242864.cif
265233	2021-05-15	cif/ Adding structures of 7242862, 7242863, 7242864, 7242865 via cif-deposit CGI script.	7242864.cif