Crystallography Open Database

Information card for entry 4087575

Preview

Coordinates	4087575.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper-phosphine complex
Formula	C58 H54 B2 Cu F8 N4 P4
Calculated formula	C58 H54 B2 Cu F8 N4 P4
SMILES	[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1n(c2c([n+]1C)[P](c1ccccc1)(c1ccccc1)[Cu]1([P]2(c2ccccc2)c2ccccc2)[P](c2c(n(c[n+]2C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
Title of publication	Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor
Authors of publication	Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3713
a	13.283 ± 0.004 Å
b	21.765 ± 0.007 Å
c	21.769 ± 0.006 Å
α	90°
β	97.313 ± 0.006°
γ	90°
Cell volume	6242 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.2049
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236859 (current)	2019-11-24	cif/ Adding structures of 4087570, 4087571, 4087572, 4087573, 4087574, 4087575, 4087576, 4087577, 4087578, 4087579, 4087580 via cif-deposit CGI script.	4087575.cif