Crystallography Open Database

Information card for entry 7720875

7720874 << 7720875 >> 7720876

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Coordinates	7720875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H60 Cd2 Fe2 N8 O20
Calculated formula	C100 H60 Cd2 Fe2 N8 O20
Title of publication	A novel cadmium-containing porphyrin-based metal-organic framework enables oxidation of inert C(sp<sup>3</sup>)-H bonds.
Authors of publication	Liu, Xudong; Shen, Kesheng; Jia, Ruiming; Jing, Xu; Duan, Chunying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	18
Pages of publication	7149 - 7155
a	17.011 ± 0.0006 Å
b	17.011 ± 0.0006 Å
c	17.3513 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5021 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.2857
Weighted residual factors for all reflections included in the refinement	0.2938
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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