Crystallography Open Database

Information card for entry 7132310

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Coordinates	7132310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C138 H135 F36 N51 O36 Pb6 S12
Calculated formula	C138 H135 F36 N51 O36 Pb6 S12
Title of publication	Anion-encapsulating, discrete prism and extended frusta, from trimetallated triangular macrocycles and linkers.
Authors of publication	Wang, Hai-Ping; Eichhöfer, Andreas; Gu, Zhi-Gang; Gruber, Nathalie; Stadler, Adrian-Mihail
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
a	21.0549 ± 0.0006 Å
b	21.0549 ± 0.0006 Å
c	31.7103 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	12174.1 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1968
Weighted residual factors for all reflections included in the refinement	0.2213
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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