Crystallography Open Database

Information card for entry 7108860

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Coordinates	7108860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu F6 N4 Ti
Calculated formula	C20 H16 Cu F6 N4 Ti
Title of publication	Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution
Authors of publication	Patrick Nugent; Vanessah Rhodus; Tony Pham; Brant Tudor; Katherine Forrest; Lukasz Wojtas; Brian Space; Michael Zaworotko
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	16
Pages of publication	1606 - 1608
a	11.1001 ± 0.0006 Å
b	11.1001 ± 0.0006 Å
c	8.4055 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1035.66 ± 0.12 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	6
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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