Crystallography Open Database

Information card for entry 4348796

Preview

Coordinates	4348796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cu2 F12 N10 P2
Calculated formula	C38 H50 Cu2 F12 N10 P2
SMILES	[Cu]12([Cu]34[n]5c(CN6C=3N(C(C)C)C=C6)cccc5CN3C=4N(C=C3)C(C)C)[n]3c(CN4C=1N(C(C)C)C=C4)cccc3CN1C=2N(C=C1)C(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cu(I) Complexes of Pincer Pyridine-Based N-Heterocyclic Carbenes with Small Wingtip Substituents: Synthesis and Structural and Spectroscopic Studies.
Authors of publication	Domyati, Doaa; Hope, Sydney L.; Latifi, Reza; Hearns, Micah D.; Tahsini, Laleh
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	22
Pages of publication	11685 - 11693
a	11.8254 ± 0.0005 Å
b	11.9626 ± 0.0005 Å
c	17.9274 ± 0.0007 Å
α	80.587 ± 0.001°
β	78.93 ± 0.001°
γ	64.446 ± 0.001°
Cell volume	2236.05 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
233354 (current)	2019-11-23	cif/ Adding structures of 4348796 via cif-deposit CGI script.	4348796.cif