Crystallography Open Database

Information card for entry 7242865

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Coordinates	7242865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H88 Co14 N30 O31 S12
Calculated formula	C116 H81 Co14 N30 O31 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	15.8696 ± 0.0018 Å
b	18.177 ± 0.002 Å
c	33.267 ± 0.004 Å
α	96.052 ± 0.004°
β	95.278 ± 0.004°
γ	108.469 ± 0.003°
Cell volume	8970.9 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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