Crystallography Open Database

Information card for entry 4349369

Preview

Coordinates	4349369.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CuL2(CNAr)
Formula	C33 H41 Cu N4
Calculated formula	C33 H41 Cu N4
SMILES	c1(c(C(C)C)cccc1C(C)C)[N]1=C(C)C=C(C)N([Cu]1C#[N]c1c(C)cccc1C)CCc1ccccn1
Title of publication	Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.
Authors of publication	Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2722 - 2735
a	21.188 ± 0.007 Å
b	8.559 ± 0.003 Å
c	18.168 ± 0.006 Å
α	90°
β	111.53 ± 0.013°
γ	90°
Cell volume	3064.8 ± 1.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.2128
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1797
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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
233904 (current)	2019-11-23	cif/ Adding structures of 4349368, 4349369, 4349370, 4349371 via cif-deposit CGI script.	4349369.cif