Crystallography Open Database

Information card for entry 1574641

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Coordinates	1574641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H23 Cd5 N37 O10
Calculated formula	C9 H23.0004 Cd5 N37 O10
Title of publication	Inter-cluster-linker-absence-enabled sub-Ångstrom pore modulation in a metal–organic framework for multi-scenario CO2 capture
Authors of publication	Wang, Jia-Wen; Fan, Shu-Cong; Yuan, Wenyu; Wang, Ying; Zhai, Quan-Guo
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	25
Pages of publication	11447 - 11455
a	13.099 ± 0.0003 Å
b	13.099 ± 0.0003 Å
c	13.416 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1993.56 ± 0.09 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0752
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.1903
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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