Crystallography Open Database

Information card for entry 1549196

Preview

Coordinates	1549196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H42 N2 O6
Calculated formula	C46 H42 N2 O6
SMILES	c12Cc3cccc(Cc4cccc(Cc5cccc(Cc(ccc1)c2OCC/N=C/c1ccccc1O)c5O)c4OCC/N=C/c1ccccc1O)c3O
Title of publication	Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands.
Authors of publication	Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	16
Pages of publication	5801 - 5811
a	9.825 ± 0.002 Å
b	14.738 ± 0.003 Å
c	15.021 ± 0.003 Å
α	62.73 ± 0.03°
β	78.35 ± 0.03°
γ	79.95 ± 0.03°
Cell volume	1885.1 ± 0.8 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
229624 (current)	2019-11-17	cif/ Updating files of 1549196, 1549197 Original log message: Adding full bibliography for 1549196--1549197.cif.	1549196.cif
207230	2018-04-05	cif/ Adding structures of 1549196, 1549197 via cif-deposit CGI script.	1549196.cif