Crystallography Open Database

Information card for entry 4333158

Preview

Coordinates	4333158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H34 Cl2 N4 O3 Pt
Calculated formula	C39 H34 Cl2 N4 O3 Pt
SMILES	c1cccc2c3ccc(cc3[Pt]3([n]12)OC(=CC(=[O]3)C)C)c1nnc(c2ccc(cc2)N(c2ccc(cc2)C)c2ccc(cc2)C)o1.C(Cl)Cl
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	9.9455 ± 0.0006 Å
b	13.5126 ± 0.0008 Å
c	14.3504 ± 0.0008 Å
α	105.207 ± 0.001°
β	103.146 ± 0.001°
γ	90.155 ± 0.001°
Cell volume	1808.25 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4333158.cif
98812	2014-01-30	cif/ Adding structures of 4333158 via cif-deposit CGI script.	4333158.cif