Crystallography Open Database

Information card for entry 1567237

Preview

Coordinates	1567237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74.5 H69 Br2 Cl N8 O2 S2 Zn2
Calculated formula	C74.5 H69 Br2 Cl N8 O2 S2 Zn2
Title of publication	Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation
Authors of publication	Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun
Journal of publication	Chemical Science
Year of publication	2022
a	10.784 ± 0.002 Å
b	11.371 ± 0.002 Å
c	29.455 ± 0.004 Å
α	97.326 ± 0.003°
β	97.564 ± 0.002°
γ	96.209 ± 0.003°
Cell volume	3522.5 ± 1 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections	1.258
Goodness-of-fit parameter for all reflections included in the refinement	1.6
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
276577 (current)	2022-07-06	cif/ Adding structures of 1567231, 1567232, 1567233, 1567234, 1567235, 1567236, 1567237, 1567238, 1567239, 1567240 via cif-deposit CGI script.	1567237.cif