Crystallography Open Database

Information card for entry 7715727

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Coordinates	7715727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C210 H216 Mn24 N12 O108 P12
Calculated formula	C210 H214 Mn24 N12 O107 P12
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	17.4015 ± 0.0002 Å
b	17.4015 ± 0.0002 Å
c	27.7085 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	7266.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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