Crystallography Open Database

Information card for entry 7243269

Preview

Coordinates	7243269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H65 N27 O23 Zn4
Calculated formula	C69 H65 N27 O23 Zn4
Title of publication	Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework
Authors of publication	Zhou, Yan; Han, Lei; Chen, Wen-Jie
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	35
Pages of publication	5982 - 5988
a	13.506 ± 0.005 Å
b	17.59 ± 0.004 Å
c	18.041 ± 0.006 Å
α	90°
β	97.01 ± 0.02°
γ	90°
Cell volume	4254 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1743
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
269690 (current)	2021-10-06	cif/ Updating files of 7243269 Original log message: Adding full bibliography for 7243269.cif.	7243269.cif
267747	2021-07-26	cif/ Adding structures of 7243269 via cif-deposit CGI script.	7243269.cif