Crystallography Open Database

Information card for entry 4126194

Preview

Coordinates	4126194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H72 Cu24 N46 O91 Zn24
Calculated formula	C144 H72 Cu24 N46 O91 Zn24
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	38.3063 ± 0.0006 Å
b	38.3063 ± 0.0006 Å
c	47.3759 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	60204 ± 3 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1322
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1603
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4126194.cif
197582	2017-06-07	cif/ Adding structures of 4126194 via cif-deposit CGI script.	4126194.cif