Crystallography Open Database

Information card for entry 7239603

Preview

Coordinates	7239603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H28 N6 O4 Zn
Calculated formula	C48 H28 N6 O4 Zn
Title of publication	Tuning the interpenetration of metal‒organic frameworks through changing ligand functionality: effect on gas adsorption properties
Authors of publication	Li, Bin; Yan, Qing-Qing; Xu, Zhi-Qiang; Xu, Ying-Bo; Yong, Guo-Ping
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	3
Pages of publication	506 - 514
a	51.726 ± 0.005 Å
b	29.1071 ± 0.0011 Å
c	6.2678 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9436.8 ± 1.1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2262
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
257498 (current)	2020-10-06	cif/ Updating files of 7239602, 7239603, 7239604 Original log message: Adding full bibliography for 7239602--7239604.cif.	7239603.cif
247694	2020-02-04	cif/ Updating files of 7239602, 7239603, 7239604 Original log message: Adding full bibliography for 7239602--7239604.cif.	7239603.cif
244820	2019-11-30	cif/ Adding structures of 7239602, 7239603, 7239604 via cif-deposit CGI script.	7239603.cif