Crystallography Open Database

Information card for entry 7122369

Preview

Coordinates	7122369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H84 Cr3 N28 O14 Zn4
Calculated formula	C108 H84 Cr3 N28 O14 Zn4
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	30.349 ± 0.012 Å
b	15.649 ± 0.006 Å
c	30.83 ± 0.013 Å
α	90°
β	113.41 ± 0.018°
γ	90°
Cell volume	13437 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
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	0.1226
Residual factor for significantly intense reflections	0.0965
Weighted residual factors for significantly intense reflections	0.2572
Weighted residual factors for all reflections included in the refinement	0.2791
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
228621 (current)	2019-11-17	cif/ Updating files of 7122368, 7122369 Original log message: Adding full bibliography for 7122368--7122369.cif.	7122369.cif
211125	2018-09-23	cif/ Adding structures of 7122368, 7122369 via cif-deposit CGI script.	7122369.cif