Crystallography Open Database

Information card for entry 7243233

Preview

Coordinates	7243233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 N2 O17 Zn
Calculated formula	C22 H34 N2 O17 Zn
SMILES	[Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]C(=O)C[n+]1ccc(c2cc[n+](CC(=O)[O-])cc2)cc1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].O.O.O
Title of publication	The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium
Authors of publication	Zhao, Guozheng; Liu, Jinjian
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	40
Pages of publication	24500 - 24507
a	7.6374 ± 0.0003 Å
b	14.0781 ± 0.0007 Å
c	14.1339 ± 0.0008 Å
α	99.701 ± 0.004°
β	105.305 ± 0.004°
γ	99.451 ± 0.004°
Cell volume	1409.59 ± 0.13 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0527
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
267583 (current)	2021-07-16	cif/ Adding structures of 7243233, 7243234 via cif-deposit CGI script.	7243233.cif