Crystallography Open Database

Information card for entry 4300742

Preview

Coordinates	4300742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H72 B2 Cl8 F40 N8 O13 Re4
Calculated formula	C120 H72 B2 Cl8 F40 N8 O13 Re4
SMILES	[B-](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)c1c(F)c(c(c(c1F)F)F)F.O=[Re]123(O[Re]456(O[Re]789(O[Re]%10%11%12(=O)[N](=Cc%13c(cccc%13)O%10)CCC[N]%11=Cc%10ccccc%10O%12)[N](=Cc%10c(cccc%10)O7)CCC[N]8=Cc7ccccc7O9)Oc7ccccc7C=[N]4CCC[N]5=Cc4ccccc4O6)[N](CCC[N]1=Cc1ccccc1O2)=Cc1c(cccc1)O3.C(Cl)Cl.C(Cl)Cl.[B-](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)c1c(c(c(c(c1F)F)F)F)F.C(Cl)Cl.C(Cl)Cl
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	16.1182 ± 0.0002 Å
b	17.6845 ± 0.0002 Å
c	21.2961 ± 0.0003 Å
α	90°
β	92.2845 ± 0.0013°
γ	90°
Cell volume	6065.46 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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