Crystallography Open Database

Information card for entry 4128514

Preview

Coordinates	4128514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 Cu17 N60 O12
Calculated formula	C60 H60 Cu17 N60 O12
Title of publication	Metal-Organic Framework Containing Planar Metal-Binding Sites: Efficiently and Cost-Effectively Enhancing the Kinetic Separation of C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.
Authors of publication	Li, Jia; Jiang, Lianyan; Chen, Sheng; Kirchon, Angelo; Li, Bao; Li, Yanshuo; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	9
Pages of publication	3807 - 3811
a	31.272 ± 0.004 Å
b	31.272 ± 0.004 Å
c	31.272 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	30582 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
221596 (current)	2019-11-03	cif/ Adding structures of 4128514 via cif-deposit CGI script.	4128514.cif