Crystallography Open Database

Information card for entry 7100872

Preview

Coordinates	7100872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 F36 I8 K2 N4 O12
Calculated formula	C54 H72 F36 I8 K2 N4 O12
SMILES	C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]18CC[O]9CC[O](CC4)[K]2356789.C(C(C(F)(F)C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)(F)I.[I-].C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]18CC[O]9CC[O](CC4)[K]2356789.C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)(F)I.C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)(F)I.[I-]
Title of publication	Metric engineering of supramolecular borromean rings
Authors of publication	Giuseppe Resnati; Rosalba Liantonio; Pierangelo Metrangolo; Franck Meyer; Tullio Pilati
Journal of publication	Chemical Communications
Year of publication	2006
a	11.861 ± 0.002 Å
b	11.861 ± 0.002 Å
c	17.319 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2110.1 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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