Crystallography Open Database

Information card for entry 7242863

Preview

Coordinates	7242863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 Cl Co4 N11 O10 S4
Calculated formula	C41 H36 Cl Co4 N11 O10 S4
SMILES	[Co]12345[S]6c7c8[O]2[Co]29%10([S](c8ccc7)c7c8[O]9[Co]9%11%12([S](c8ccc7)c7c8[O]%11[Co]%11([S](c8ccc7)c7c([O]3%11)c6ccc7)([Cl]129)([O]=CO4)[n]1c[nH]c2c1[n]%12cnc2N)[O]=CO%10)[n]1c2n5cnc2c(nc1)N.O=CN(C)C.C(O)C
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	19.899 ± 0.003 Å
b	18.907 ± 0.003 Å
c	25.949 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9763 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
267103 (current)	2021-07-05	cif/ Updating files of 7242862, 7242863, 7242864, 7242865 Original log message: Adding full bibliography for 7242862--7242865.cif.	7242863.cif
265233	2021-05-15	cif/ Adding structures of 7242862, 7242863, 7242864, 7242865 via cif-deposit CGI script.	7242863.cif