Crystallography Open Database

Information card for entry 7006866

Preview

Structure parameters

Formula	C72 H26 B2 Co F36 O4 P2
Calculated formula	C72 H26 B2 Co F36 O4 P2
SMILES	[Co]([O]=P(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)([O]=P(c1ccc(cc1)F)(c1ccc(cc1)F)c1ccc(cc1)F)([OH][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)[OH][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
Title of publication	B(C6F5)3 adducts of transition metal acyl compounds.
Authors of publication	Llewellyn, Simon A.; Green, Malcolm L. H.; Cowley, Andrew R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	14
Pages of publication	1776 - 1783
a	20.264 ± 0.0002 Å
b	13.0854 ± 0.0002 Å
c	25.3366 ± 0.0002 Å
α	90°
β	93.9521 ± 0.0005°
γ	90°
Cell volume	6702.34 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for all reflections	0.0702
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7006866.html