Crystallography Open Database

Information card for entry 1571682

Preview

Coordinates	1571682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cu F12 N8 O0 Zr
Calculated formula	C27 H25 Cu F12 N10 Zr
Title of publication	Systemic regulation of binding sites in porous coordination polymers for ethylene purification from ternary C2 hydrocarbons.
Authors of publication	Li, Yi; Wu, Yanxin; Zhao, Jiaxin; Duan, Jingui; Jin, Wanqin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	24
Pages of publication	9318 - 9324
a	16.8758 ± 0.0002 Å
b	16.8758 ± 0.0002 Å
c	31.7415 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	9039.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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