Crystallography Open Database

Information card for entry 4126193

Preview

Coordinates	4126193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H24 Cu12 N28 O39 Zn12
Calculated formula	C77 H24 Cu12 N28 O39 Zn12
Title of publication	Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.
Authors of publication	Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	23
Pages of publication	7998 - 8007
a	25.4241 ± 0.0007 Å
b	25.4241 ± 0.0007 Å
c	30.4446 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	19678.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200672 (current)	2017-09-12	cif/ Updating files of 4126193, 4126194 Original log message: Adding full bibliography for 4126193--4126194.cif.	4126193.cif
197581	2017-06-07	cif/ Adding structures of 4126193 via cif-deposit CGI script.	4126193.cif