Crystallography Open Database

Information card for entry 4128233

Preview

Coordinates	4128233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C209.6 H146.4 Cu28 N32.8 O96
Calculated formula	C209.6 H146.41 Cu28 N32.8 O96
Title of publication	Coordinative Reduction of Metal Nodes Enhances the Hydrolytic Stability of a Paddlewheel Metal-Organic Framework.
Authors of publication	Song, Dahae; Bae, Jinhee; Ji, Hoon; Kim, Min-Bum; Bae, Youn-Sang; Park, Kyo Sung; Moon, Dohyun; Jeong, Nak Cheon
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	19
Pages of publication	7853 - 7864
a	26.303 ± 0.003 Å
b	26.303 ± 0.003 Å
c	26.303 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	18198 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0721
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.2386
Weighted residual factors for all reflections included in the refinement	0.2407
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
221362 (current)	2019-11-03	cif/ Adding structures of 4128233 via cif-deposit CGI script.	4128233.cif