Crystallography Open Database

Information card for entry 4130625

Preview

Coordinates	4130625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 F5 N4 Nb Ni O3
Calculated formula	C8 H8 F5 N4 Nb Ni O3
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	9.943 ± 0.004 Å
b	9.943 ± 0.004 Å
c	15.764 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1558.5 ± 1.1 Å³
Cell temperature	295.5 ± 0.1 K
Ambient diffraction temperature	295.5 ± 0.1 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	0.0699
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241018 (current)	2019-11-25	cif/ Adding structures of 4130625 via cif-deposit CGI script.	4130625.cif