Crystallography Open Database

Information card for entry 7707643

Preview

Coordinates	7707643.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	iMOF-4C
Formula	C66 H48 N12 Zn
Calculated formula	C66 H48 N12 Zn
Title of publication	A luminescent cationic MOF for bimodal recognition of chromium and arsenic based oxo-anions in water.
Authors of publication	Dutta, Subhajit; Let, Sumanta; Shirolkar, Mandar M.; Desai, Aamod V.; Samanta, Partha; Fajal, Sahel; More, Yogeshwar D.; Ghosh, Sujit K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	29
Pages of publication	10133 - 10141
a	18.7016 ± 0.0016 Å
b	18.7016 ± 0.0016 Å
c	23.159 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7014.7 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2577
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
268703 (current)	2021-09-06	cif/ Updating files of 7707643 Original log message: Adding full bibliography for 7707643.cif.	7707643.cif
266380	2021-06-11	cif/ Adding structures of 7707643 via cif-deposit CGI script.	7707643.cif