Crystallography Open Database

Information card for entry 4130134

Preview

Coordinates	4130134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C264 H236 Cl6 Co20 N8 O52 S16
Calculated formula	C264 H236 Cl6 Co20 N8 O52 S16
Title of publication	Discrete {Ni40} Coordination Cage: A Calixarene-Based Johnson-Type (J17) Hexadecahedron.
Authors of publication	Hang, Xinxin; Liu, Bing; Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping; Liu, Yunling; Hu, Chunhua
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	9
Pages of publication	2969 - 2972
a	30.4471 ± 0.0019 Å
b	30.4471 ± 0.0019 Å
c	21.8623 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	20267 ± 2 Å³
Cell temperature	192 ± 2 K
Ambient diffraction temperature	192 ± 2 K
Number of distinct elements	7
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1864
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4130134.html