Crystallography Open Database

Information card for entry 7250697

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Coordinates	7250697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H76 N10 O27 Zn4
Calculated formula	C80 H76 N10 O27 Zn4
Title of publication	Transformation of carbon dioxide catalyzed using an N-heterocyclic carbene copper(i)-embedded metal–organic framework
Authors of publication	You, Li-Xin; Wang, Xin-Yu; Li, Jin-Rong; Guo, Jie; Xiong, Gang; ding, Fu; Sun, Ya-Guang
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	33
Pages of publication	5625 - 5632
a	25.8779 ± 0.0006 Å
b	25.8779 ± 0.0006 Å
c	11.7846 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	7891.7 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1426
Residual factor for significantly intense reflections	0.1196
Weighted residual factors for significantly intense reflections	0.3583
Weighted residual factors for all reflections included in the refinement	0.3892
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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