Crystallography Open Database

Information card for entry 7251518

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Coordinates	7251518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H68 Cd3 N2 O16
Calculated formula	C84 H68 Cd3 N2 O16
Title of publication	Flexible-functionalized Cd-MOFs for photocatalytic CO2 reduction: tuning framework flexibility via ligand design
Authors of publication	Luo, Yuqian; Lu, Yongyang; Wu, Ziqiang; Ye, Chunyin; Zhang, ChuanLei
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	4
Pages of publication	912 - 918
a	46.4009 ± 0.0019 Å
b	6.3419 ± 0.0002 Å
c	22.613 ± 0.0009 Å
α	90°
β	91.963 ± 0.001°
γ	90°
Cell volume	6650.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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