Crystallography Open Database

Information card for entry 7101009

Preview

Coordinates	7101009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H82 B F20 N4 Tm
Calculated formula	C82 H82 B F20 N4 Tm
SMILES	[Tm]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[N](=C(C=C(N2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.Fc1c(c(F)c(F)c(F)c1F)[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Journal of publication	Chemical Communications
Year of publication	2005
a	27.9702 ± 0.0003 Å
b	19.9944 ± 0.0003 Å
c	27.917 ± 0.0004 Å
α	90°
β	98.971 ± 0.001°
γ	90°
Cell volume	15421.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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