Crystallography Open Database

Information card for entry 7224503

Preview

Coordinates	7224503.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[ZnCl(N3)(tzmb)]2??H2O
Formula	C24 H22 Cl2 N18 O Zn2
Calculated formula	C24 H20 Cl2 N18 O Zn2
SMILES	[Zn]1(Cl)([n]2ccc(cc2)c2cc[n+](Cc3n([Zn]([n]4ccc(cc4)c4cc[n+](Cc5n1nnn5)cc4)(N=N#N)Cl)nnn3)cc2)N=N#N.O
Title of publication	Fluorescence and photochromic properties of a series of new Zn(ii)/Cd(ii) coordination compounds with a flexible semi-rigid tetrazole‒viologen derivative
Authors of publication	Xiao, Yu; Wang, Shuai-Hua; Zhao, Ya-Ping; Zheng, Fa-Kun; Guo, Guo-Cong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	14
Pages of publication	2524
a	10.467 ± 0.003 Å
b	13.587 ± 0.004 Å
c	11.9 ± 0.004 Å
α	90°
β	112.036 ± 0.007°
γ	90°
Cell volume	1568.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0621
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
181615 (current)	2016-04-05	cif/ Updating files of 7224500, 7224501, 7224502, 7224503 Original log message: Adding full bibliography for 7224500--7224503.cif.	7224503.cif
177614	2016-03-05	cif/ Adding structures of 7224500, 7224501, 7224502, 7224503 via cif-deposit CGI script.	7224503.cif