Crystallography Open Database

Information card for entry 4333157

Preview

Coordinates	4333157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 N4 O4 Pt
Calculated formula	C36 H28 N4 O4 Pt
SMILES	c1ccccc1N(c1ccccc1)c1ccc(cc1)c1nnc(c2ccc3c4cccc[n]4[Pt]4(c3c2)OC(=CC(=[O]4)C)C)o1.O
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	19.827 ± 0.009 Å
b	13.692 ± 0.006 Å
c	11.835 ± 0.006 Å
α	90°
β	97.041 ± 0.01°
γ	90°
Cell volume	3189 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	0.925
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.	4333157.cif
98811	2014-01-30	cif/ Adding structures of 4333157 via cif-deposit CGI script.	4333157.cif