Crystallography Open Database

Information card for entry 7248099

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Coordinates	7248099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H31 Cu6 N6 O24
Calculated formula	C42 H31 Cu6 N6 O24
Title of publication	A (4,6)-c copper–organic framework constructed from triazole-inserted dicarboxylate linker with CO2 selective adsorption
Authors of publication	Li, Hong-Xin; Zhang, Zong-Hui; Fang, Han; Guo, Xin-Ai; Du, Guo-Tong; Wang, Qin; Xue, Dong-Xu
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	9
Pages of publication	1204 - 1208
a	34.8261 ± 0.0006 Å
b	34.8261 ± 0.0006 Å
c	17.3791 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	18254.4 ± 0.6 Å³
Cell temperature	152.99 K
Ambient diffraction temperature	152.99 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1682
Residual factor for significantly intense reflections	0.1401
Weighted residual factors for significantly intense reflections	0.408
Weighted residual factors for all reflections included in the refinement	0.4432
Goodness-of-fit parameter for all reflections included in the refinement	1.79
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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