Crystallography Open Database

Information card for entry 7101033

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Coordinates	7101033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H80 F12 N2 O18 P2
Calculated formula	C54 H80 F12 N2 O18 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1c2cc3OCCOCCOCCOCCOc4cc(OCCOCCOCCOCC1)cc(OCCOCCOCCOCCOc(c3)c2)c4.[n+]12c(c3[n+](cccc3)CC2)cccc1.O=C(C)C.O=C(C)C.O
Title of publication	Bis(m-phenylene)-32-crown-10-based cryptand/diquat inclusion [2]complexes
Authors of publication	Feihe Huang; Carla Slebodnick; Karen A. Switek; Harry W. Gibson
Journal of publication	Chemical Communications
Year of publication	2006
a	24.869 ± 0.002 Å
b	22.922 ± 0.002 Å
c	10.8407 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6179.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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