Crystallography Open Database

Information card for entry 4348799

Preview

Coordinates	4348799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cu F6 N5 P
Calculated formula	C17 H21 Cu F6 N5 P
SMILES	[Cu]12[n]3c(CN4C=1N(CC)C=C4)cccc3CN1C=2N(C=C1)CC.[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	25.5637 ± 0.0005 Å
b	11.1587 ± 0.0002 Å
c	18.8415 ± 0.0006 Å
α	90°
β	132.34 ± 0.001°
γ	90°
Cell volume	3972.76 ± 0.18 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
233359 (current)	2019-11-23	cif/ Adding structures of 4348799 via cif-deposit CGI script.	4348799.cif