Crystallography Open Database

Information card for entry 1571671

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Coordinates	1571671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 F N2 O8 Zn2
Calculated formula	C26 H27 F N2 O8 Zn2
Title of publication	Increased CO<sub>2</sub>/N<sub>2</sub> selectivity by stepwise fluorination in isoreticular ultramicroporous metal-organic frameworks.
Authors of publication	Di, Tuo; Yoshida, Yukihiro; Otake, Ken-Ichi; Kitagawa, Susumu; Kitagawa, Hiroshi
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	25
Pages of publication	9641 - 9648
a	15.4014 ± 0.0002 Å
b	15.4014 ± 0.0002 Å
c	19.1444 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4541.11 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0408
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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