Crystallography Open Database

Information card for entry 7710935

Preview

Coordinates	7710935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cu F6 N4 P
Calculated formula	C16 H20 Cu F6 N4 P
SMILES	[Cu]1234([n]5c6C[NH]2Cc2[n]1c(ccc2)C[NH]3Cc5ccc6)[CH2]=[CH2]4.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Ethylene binding in mono- and binuclear CuI complexes with tetradentate pyridinophane ligands
Authors of publication	Karimata, Ayumu; Gridneva, Tatiana; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Garcia-Roca, Alèria; Khusnutdinova, Julia R.
Journal of publication	Dalton Transactions
Year of publication	2022
a	13.24737 ± 0.00005 Å
b	12.50127 ± 0.00005 Å
c	22.95513 ± 0.00012 Å
α	90°
β	96.8516 ± 0.0004°
γ	90°
Cell volume	3774.43 ± 0.03 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	6
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	0.0282
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277177 (current)	2022-08-10	cif/ Adding structures of 7710935, 7710936, 7710937, 7710938 via cif-deposit CGI script.	7710935.cif