Crystallography Open Database

Information card for entry 7251491

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Coordinates	7251491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 N9 O4 Zn2
Calculated formula	C12 H11 N9 O4 Zn2
Title of publication	A triazolate-based MOF with amino-induced triazolate reorientation enabling pore-size regulation for CO2/CH4 separation
Authors of publication	Bu, Qiyi; Zhang, Yushu; Wang, Li; Liu, Jiaqi; Wang, Yong; Li, Jinping
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	9
Pages of publication	1485 - 1488
a	12.8268 ± 0.0008 Å
b	12.8268 ± 0.0008 Å
c	25.8853 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4258.8 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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