Crystallography Open Database

Information card for entry 4342021

4342020 << 4342021 >> 4342022

Preview

Coordinates	4342021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 Cl4 N3 O2 Zn
Calculated formula	C27 H27 Cl4 N3 O2 Zn
SMILES	[Zn]1(Cl)(Cl)[N]2=Cc3c(c(cc(c3)Cl)CN(Cc3c(c(C=NCCC2)cc(c3)Cl)O)CCc2ccccc2)[OH]1
Title of publication	Influence of the Pendant Arm, Halide, and Solvent on High-Efficient-Tuning [1 + 1] and [2 + 2] Schiff-Base Macrocyclic Complexes via a Zinc-Ion Template.
Authors of publication	Zhang, Kun; Qian, Huifen; Zhang, Lei; Huang, Wei
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	675 - 681
a	9.502 ± 0.009 Å
b	19.368 ± 0.012 Å
c	14.872 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	2737 ± 4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.118
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342021.cif
130519	2015-02-04	cif/ Updating files of 4342021, 4342022, 4342023, 4342024, 4342025, 4342026 Original log message: Adding full bibliography for 4342021--4342026.cif.	4342021.cif
129160	2014-12-30	cif/ Adding structures of 4342021, 4342022, 4342023, 4342024, 4342025, 4342026 via cif-deposit CGI script.	4342021.cif