Crystallography Open Database

Information card for entry 7240461

Preview

Coordinates	7240461.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZIF-76 mbIm
Chemical name	Zn(Im)1.20(ClFbIm)0.80
Formula	C240 H220.8 N96 O8 Zn24
Calculated formula	C10.079 H5.58 N4 O0.333333 Zn
Title of publication	Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks
Authors of publication	Bumstead, Alice M.; Gómez, María Laura Ríos; Thorne, Michael Francis; Sapnik, Adam F.; Longley, Louis; Tuffnell, Joshua Mark; Keeble, Dean S.; Keen, David A.; Bennett, Thomas Douglas
Journal of publication	CrystEngComm
Year of publication	2020
a	22.684 ± 0.0006 Å
b	22.684 ± 0.0006 Å
c	22.684 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	11672.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	215
Hermann-Mauguin space group symbol	P -4 3 m
Hall space group symbol	P -4 2 3
Residual factor for all reflections	0.1424
Residual factor for significantly intense reflections	0.1156
Weighted residual factors for significantly intense reflections	0.2989
Weighted residual factors for all reflections included in the refinement	0.3534
Goodness-of-fit parameter for all reflections included in the refinement	1.365
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
251827 (current)	2020-05-07	cif/ Adding structures of 7240461 via cif-deposit CGI script.	7240461.cif