Crystallography Open Database

Information card for entry 4517321

Preview

Coordinates	4517321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 Mn2 N3 O11
Calculated formula	C38 H35 Mn2 N3 O11
Title of publication	Microporous Metal-Organic Framework with a Completely Reversed Adsorption Relationship for C<sub>2</sub> Hydrocarbons at Room Temperature.
Authors of publication	Sun, Fang-Zhou; Yang, Shan-Qing; Krishna, Rajamani; Zhang, Ying-Hui; Xia, Yu-Pei; Hu, Tong-Liang
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
a	11.6212 ± 0.0001 Å
b	13.0997 ± 0.0002 Å
c	25.0298 ± 0.0003 Å
α	90°
β	97.156 ± 0.001°
γ	90°
Cell volume	3780.71 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4517321.html