Crystallography Open Database

Information card for entry 7135971

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Coordinates	7135971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H4 Cu N4 O4
Calculated formula	C9 H4 Cu N4 O4
Title of publication	Tetrazole-functionalized Cu-MOF for efficient C2H2/CO2 separation
Authors of publication	Chen, Jingjing; Li, Fugang; Zhao, Zihao; Wang, Xiaokang; Wang, Rongming; Sun, Daofeng
Journal of publication	Chemical Communications
Year of publication	2026
a	15.2696 ± 0.0008 Å
b	15.3153 ± 0.0005 Å
c	16.7734 ± 0.0011 Å
α	90°
β	116.967 ± 0.008°
γ	90°
Cell volume	3496.1 ± 0.4 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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