Crystallography Open Database

Information card for entry 7714163

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Coordinates	7714163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 Cu N O5
Calculated formula	C23 H14 Cu N O5
Title of publication	An Ethynyl-Modified Interpenetrated Metal-Organic Framework for Highly Efficient Selective Gas Adsorption
Authors of publication	Yu, Xueyue; Huang, Ziyang; Krishna, Rajamani; Luo, Xiaolong; Liu, Yunling
Journal of publication	Dalton Transactions
Year of publication	2023
a	26.4044 ± 0.0008 Å
b	35.6894 ± 0.0011 Å
c	17.4068 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16403.4 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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