Crystallography Open Database

Information card for entry 4061810

Preview

Coordinates	4061810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H32 B2 F30 O4 Zr2
Calculated formula	C62 H32 B2 F30 O4 Zr2
SMILES	[B-](C)(c1c(F)c(c(c(c1F)F)F)F)(c1c(c(F)c(c(c1F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C1(C)=[O][Zr]23456789([cH]%10[cH]2[cH]3[cH]4[cH]5%10)([cH]2[cH]6[cH]7[cH]8[cH]92)OC(C)=[O][Zr]23456789(O1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.[B-](C)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Journal of publication	Organometallics
Year of publication	2005
a	11.9868 ± 0.0016 Å
b	12.3812 ± 0.0017 Å
c	12.543 ± 0.002 Å
α	90.053 ± 0.017°
β	118.416 ± 0.013°
γ	108.96 ± 0.012°
Cell volume	1521.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4061810.html