Crystallography Open Database

Information card for entry 4120221

4120220 << 4120221 >> 4120222

Preview

Coordinates	4120221.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MPM-1-TIFSIX
Formula	C24 H26 Cu2 F12 N22 Ti2
Calculated formula	C24 H26 Cu2 F12 N22 Ti2
Title of publication	A Robust Molecular Porous Material with High CO2 Uptake and Selectivity
Authors of publication	Patrick S. Nugent; Vanessah Lou Rhodus; Tony Pham; Katherine Forrest; Lukasz Wojtas; Brian Space; Michael J. Zaworotko
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10950 - 10953
a	32.3397 ± 0.0007 Å
b	32.3397 ± 0.0007 Å
c	13.7255 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	12431.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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