Crystallography Open Database

Information card for entry 7712683

Preview

Coordinates	7712683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cl2 N4 O4 Zn
Calculated formula	C24 H26 Cl2 N4 O4 Zn
SMILES	[Zn]123(Cl)[N](CC[N]1(Cc1[n]3c3ccccc3cc1)C)(Cc1[n]2c2ccccc2cc1)C.Cl(=O)(=O)(=O)[O-]
Title of publication	Effect of methoxy substituents on fluorescent Zn2+/Cd2+ selectivity of bisquinoline derivatives with a N,N’-dimethylalkanediamine skeleton
Authors of publication	Mikata, Yuji; Tanaka, Marin; Yasuda, Saori; Tsuruta, Aya; Hagiwara, Taeka; Konno, Hideo; Matsuo, Takashi
Journal of publication	Dalton Transactions
Year of publication	2023
a	30.1327 ± 0.0013 Å
b	30.1327 ± 0.0013 Å
c	14.7905 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	11630.3 ± 0.9 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282097 (current)	2023-03-29	cif/ Adding structures of 7712682, 7712683 via cif-deposit CGI script.	7712683.cif