Crystallography Open Database

Information card for entry 4519037

4519036 << 4519037 >> 4519038

Preview

Coordinates	4519037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H39 Fe3 N9 O16
Calculated formula	C60 H39 Fe3 N9 O16
Title of publication	Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.
Authors of publication	Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	37
Pages of publication	44956 - 44963
a	33.5266 ± 0.0005 Å
b	33.5266 ± 0.0005 Å
c	33.5266 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	37685 ± 1 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 K
Number of distinct elements	5
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2322
Weighted residual factors for all reflections included in the refinement	0.2361
Goodness-of-fit parameter for all reflections included in the refinement	1.292
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4519037.html