Crystallography Open Database

Information card for entry 4125447

Preview

Coordinates	4125447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H52 Co3 Fe6 N6 O41
Calculated formula	C84 H51.9984 Co3 Fe6 N6 O41.0001
Title of publication	Modular and Stepwise Synthesis of a Hybrid Metal-Organic Framework for Efficient Electrocatalytic Oxygen Evolution.
Authors of publication	Shen, Jian-Qiang; Liao, Pei-Qin; Zhou, Dong-Dong; He, Chun-Ting; Wu, Jun-Xi; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	5
Pages of publication	1778 - 1781
a	41.5406 ± 0.0002 Å
b	41.5406 ± 0.0002 Å
c	41.5406 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	71683.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193493 (current)	2017-03-04	cif/ Updating files of 4125446, 4125447, 4125448 Original log message: Adding full bibliography for 4125446--4125448.cif.	4125447.cif
192521	2017-03-01	cif/ Adding structures of 4125446, 4125447, 4125448 via cif-deposit CGI script.	4125447.cif