Crystallography Open Database

Information card for entry 7705178

Preview

Coordinates	7705178.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(NNN-pincer)2] (Et4N)2 MeCN
Formula	C64 H85 Cu2 N9 O4
Calculated formula	C64 H85 Cu2 N9 O4
SMILES	[Cu]12[Cu]34([n]5c(C(=O)N1c1c(cccc1C)C)cccc5C(=O)N3c1c(cccc1C)C)[n]1c(C(=O)N2c2c(cccc2C)C)cccc1C(=O)N4c1c(cccc1C)C.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
Title of publication	Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.
Authors of publication	Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12189 - 12196
a	14.36064 ± 0.00014 Å
b	16.83191 ± 0.00016 Å
c	25.6876 ± 0.0003 Å
α	90°
β	105.827 ± 0.0011°
γ	90°
Cell volume	5973.73 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0509
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
257559 (current)	2020-10-06	cif/ Updating files of 7705173, 7705174, 7705175, 7705176, 7705177, 7705178, 7705179, 7705180 Original log message: Adding full bibliography for 7705173--7705180.cif.	7705178.cif
255414	2020-08-18	cif/ Adding structures of 7705173, 7705174, 7705175, 7705176, 7705177, 7705178, 7705179, 7705180 via cif-deposit CGI script.	7705178.cif