Crystallography Open Database

Information card for entry 7122368

Preview

Coordinates	7122368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 N13.5 O8 Zn2
Calculated formula	C54 H42 N16 O8 Zn2
Title of publication	Spatial confinement of a cationic MOF: a SC-SC approach for high capacity Cr(vi)-oxyanion capture in aqueous solution.
Authors of publication	Fu, Hong-Ru; Wang, Ning; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Fei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	82
Pages of publication	11645 - 11648
a	30.9656 ± 0.0006 Å
b	15.6428 ± 0.0003 Å
c	29.8532 ± 0.0005 Å
α	90°
β	113.368 ± 0.002°
γ	90°
Cell volume	13274.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
228621 (current)	2019-11-17	cif/ Updating files of 7122368, 7122369 Original log message: Adding full bibliography for 7122368--7122369.cif.	7122368.cif
211125	2018-09-23	cif/ Adding structures of 7122368, 7122369 via cif-deposit CGI script.	7122368.cif