Crystallography Open Database

Information card for entry 4333161

Preview

Coordinates	4333161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N3 O3 Pt
Calculated formula	C24 H19 N3 O3 Pt
SMILES	c1cccc2c3ccc(cc3[Pt]3([n]12)OC(=CC(=[O]3)C)C)c1nnc(c2ccccc2)o1
Title of publication	Phosphorescent Platinum(II) Complexes Derived from Multifunctional Chromophores: Synthesis, Structures, Photophysics, and Electroluminescence
Authors of publication	He, Ze; Wong, Wai-Yeung; Yu, Xiaoming; Kwok, Hoi-Sing; Lin, Zhenyang
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	26
Pages of publication	10922 - 10937
a	24.5142 ± 0.0017 Å
b	4.9526 ± 0.0003 Å
c	34.174 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4149 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
179434 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/31.	4333161.cif
98815	2014-01-30	cif/ Adding structures of 4333161 via cif-deposit CGI script.	4333161.cif