Crystallography Open Database

Information card for entry 4122715

Preview

Coordinates	4122715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 N12 O14 Zn8
Calculated formula	C24 H12 N12 O14 Zn8
Title of publication	Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.
Authors of publication	Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	41
Pages of publication	14465
a	20.1616 ± 0.0002 Å
b	20.1616 ± 0.0002 Å
c	20.1616 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	8195.49 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.1417
Residual factor for significantly intense reflections	0.1223
Weighted residual factors for significantly intense reflections	0.2619
Weighted residual factors for all reflections included in the refinement	0.2732
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4122715.html