Crystallography Open Database

Information card for entry 7720874

7720873 << 7720874 >> 7720875

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Coordinates	7720874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H27.2 Cd Cl Mn N4 O9.6
Calculated formula	C48 H24 Cd Cl Mn N4 O8
Title of publication	A Novel Cadmium-Containing Porphyrin-Based Metal-Organic Framework Enables Oxidation of Inert C(sp 3 )-H Bonds
Authors of publication	Liu, Xudong; Shen, Keshen; Jia, Ruiming; Jing, Xu; Duan, Chunying
Journal of publication	Dalton Transactions
Year of publication	2026
a	17.0074 ± 0.0007 Å
b	17.0074 ± 0.0007 Å
c	17.4421 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5045.2 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	7
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2352
Weighted residual factors for all reflections included in the refinement	0.2448
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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