Crystallography Open Database

Information card for entry 4130624

Preview

Coordinates	4130624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.84 H8 F5 N4 Nb Ni O2.68
Calculated formula	C8.84 H8 F5 N4 Nb Ni O2.68
Title of publication	A Fine-Tuned Fluorinated MOF Addresses the Needs for Trace CO2 Removal and Air Capture Using Physisorption.
Authors of publication	Bhatt, Prashant M.; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	29
Pages of publication	9301 - 9307
a	9.903 ± 0.001 Å
b	9.903 ± 0.001 Å
c	15.72 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1541.7 ± 0.3 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	7
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1836
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241017 (current)	2019-11-25	cif/ Adding structures of 4130624 via cif-deposit CGI script.	4130624.cif