Crystallography Open Database

Information card for entry 7220139

7220138 << 7220139 >> 7220140

Preview

Coordinates	7220139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 Cl6 Cu3 N10
Calculated formula	C38 H26 Cl6 Cu3 N10
SMILES	[Cu]([n]1cc[n]2c(c1)c1cc(cc3[n]1[Cu]2([n]1c3cncc1)(Cl)Cl)c1ccccc1)([n]1cc[n]2c(c1)c1cc(cc3[n]1[Cu]2([n]1c3cncc1)(Cl)Cl)c1ccccc1)(Cl)Cl
Title of publication	Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies
Authors of publication	Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.
Journal of publication	RSC Adv.
Year of publication	2015
a	8.0764 ± 0.0004 Å
b	10.3447 ± 0.0005 Å
c	12.0794 ± 0.0006 Å
α	69.08 ± 0.003°
β	86.145 ± 0.003°
γ	88.856 ± 0.003°
Cell volume	940.54 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0972
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220139.cif
135730	2015-05-08	cif/ Adding structures of 7220134, 7220135, 7220136, 7220137, 7220138, 7220139 via cif-deposit CGI script.	7220139.cif