Crystallography Open Database

Information card for entry 7248497

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Coordinates	7248497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H6 F6 N4 O2
Calculated formula	C16 H6 F6 N4 O2
Title of publication	A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels
Authors of publication	Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	19
Pages of publication	2459 - 2462
a	4.7256 ± 0.0003 Å
b	16.4363 ± 0.0011 Å
c	9.9536 ± 0.0006 Å
α	90°
β	91.715 ± 0.006°
γ	90°
Cell volume	772.76 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.1991
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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