Crystallography Open Database

Information card for entry 4062799

Preview

Coordinates	4062799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H96 B2 Cl2 F40 P4 Pd2
Calculated formula	C146 H72 B2 Cl2 F40 P4 Pd2
SMILES	[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(c(F)c(F)c(F)c1F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[P]1(c2ccccc2)(c2ccccc2)[Pd]23[Cl][Pd]([Cl]2)([P](Cc2c(c4cc(ccc4)c4ccccc4C[P]3(c3ccccc3)c3ccccc3)cccc2)(c2ccccc2)c2ccccc2)[P](Cc2c(c3cc(ccc3)c3ccccc3C1)cccc2)(c1ccccc1)c1ccccc1.CCCCC.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.CCCCC
Journal of publication	Organometallics
Year of publication	2004
a	14.379 ± 0.003 Å
b	15.2099 ± 0.0019 Å
c	16.078 ± 0.002 Å
α	88.431 ± 0.012°
β	82.665 ± 0.015°
γ	82.108 ± 0.017°
Cell volume	3454.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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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