Crystallography Open Database

Information card for entry 4515144

Preview

Coordinates	4515144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H32 O25 Zn7
Calculated formula	C66 H32 O25 Zn7
Title of publication	Photocatalytic and Ferric Ion Sensing Properties of a New Three-Dimensional Metal-Organic Framework Based on Cuboctahedral Secondary Building Units.
Authors of publication	Ding, Qiongjie; Pan, Ying; Luo, Yingmei; Zhou, Mi; Guan, Yucheng; Li, Baohong; Trivedi, Manoj; Kumar, Abhinav; Liu, Jianqiang
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	6
Pages of publication	10775 - 10783
a	12.9324 ± 0.0007 Å
b	17.7182 ± 0.001 Å
c	20.6303 ± 0.001 Å
α	87.335 ± 0.004°
β	72.611 ± 0.005°
γ	70.314 ± 0.005°
Cell volume	4239.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.176
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220254 (current)	2019-10-28	cif/ Adding structures of 4515144 via cif-deposit CGI script.	4515144.cif