Crystallography Open Database

Information card for entry 1512618

Preview

Coordinates	1512618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H64 N2 O2 Zn
Calculated formula	C64 H64 N2 O2 Zn
SMILES	[Zn]12(Oc3c(cc(cc3C=[N]1c1c(cc(cc1CC)C)CC)C)C(c1ccccc1)c1ccccc1)Oc1c(cc(cc1C=[N]2c1c(cc(cc1CC)C)CC)C)C(c1ccccc1)c1ccccc1
Title of publication	Synthesis, structure and photophysical properties of 2-benzhydryl-4-methyl-6-(aryliminomethyl)phenol ligands and the zinc complexes thereof
Authors of publication	Zihong Zhou; Wen Li; Xiaohua Hou; Xiang Hao; Langqiu Chen; Carl Redshaw; Wen-Hua Sun
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	292 - 299
a	21.925 ± 0.004 Å
b	16.424 ± 0.003 Å
c	16.866 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6073.4 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.203
Weighted residual factors for all reflections included in the refinement	0.2111
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512618.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512618.cif
89867	2013-11-14	cif/ Adding structures of 1512618 via cif-deposit CGI script.	1512618.cif