Crystallography Open Database

Information card for entry 1512617

Preview

Coordinates	1512617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H60 N2 O2 Zn
Calculated formula	C62 H60 N2 O2 Zn
SMILES	[Zn]12(Oc3c(cc(cc3C(c3ccccc3)c3ccccc3)C)C=[N]2c2c(CC)cccc2CC)Oc2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C=[N]1c1c(cccc1CC)CC
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	12.433 ± 0.003 Å
b	15.346 ± 0.003 Å
c	15.863 ± 0.003 Å
α	70.36 ± 0.03°
β	70.72 ± 0.03°
γ	72.6 ± 0.03°
Cell volume	2629.8 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1918
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	1512617.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512617.cif
89866	2013-11-14	cif/ Adding structures of 1512617 via cif-deposit CGI script.	1512617.cif