Crystallography Open Database

Information card for entry 7715724

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Coordinates	7715724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H47 Co12 O44.5 P6
Calculated formula	C84 H47.0004 Co12 O44.5 P6
Title of publication	Discovery of two predictable (3, 18)-connected topologies based on Wells-Dawson type cage for the design of porous metal phosphonocarboxylate frameworks
Authors of publication	Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli
Journal of publication	Dalton Transactions
Year of publication	2024
a	17.417 ± 0.003 Å
b	17.417 ± 0.003 Å
c	37.879 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	9951 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.1952
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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