Crystallography Open Database

Information card for entry 4100354

Preview

Coordinates	4100354.cif

Structure parameters

Formula	C76 H42 B2 F24 Zr2
Calculated formula	C76 H42 B2 F24 Zr2
SMILES	[Zr]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)([cH]1[cH]5[cH]6[cH]7[cH]81)(C)C[B](c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(F)c(c(F)c1F)F)c1c(F)c(F)c(c(F)c1(F))[B](c1c(F)c(F)c(c(F)c1F)F)(c1c(F)c(F)c(c(F)c1F)F)C[Zr]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)([cH]1[cH]5[cH]6[cH]7[cH]81)C.c1(ccccc1)C.c1(ccccc1)C
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	11.4 ± 0.01 Å
b	11.52 ± 0.01 Å
c	15.24 ± 0.01 Å
α	67.97 ± 0.04°
β	88.4 ± 0.1°
γ	66.31 ± 0.04°
Cell volume	1682 ± 2 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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