Crystallography Open Database

Information card for entry 7219179

7219178 << 7219179 >> 7219180

Preview

Coordinates	7219179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cu2 N12 O
Calculated formula	C32 H28 Cu2 N12 O
SMILES	c1cccc2c3ccc4[n]53[Cu]3([n]12)(N=N#N)[n]12c(ccc1c1[n]3cccc1)c1cccc[n]1[Cu]52([n]1c4cccc1)N=N#N.C1CCCO1
Title of publication	Anion-directed Assembly of Helical Copper(II) Complexes Based on a Bispyridylpyrrole Ligand: Synthesis, Structural and Magnetic Properties
Authors of publication	Fang, Wen-zhong; Wang, Ya-Ping; Wang, Yi-Fan; Zhang, Shou-chun; Yi, Xiao-Yi
Journal of publication	RSC Adv.
Year of publication	2014
a	8.2247 ± 0.0001 Å
b	33.0397 ± 0.0005 Å
c	11.3562 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3085.95 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
180522 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/91.	7219179.cif
129033	2014-12-24	cif/ Adding structures of 7219179, 7219180, 7219181 via cif-deposit CGI script.	7219179.cif