Crystallography Open Database

Information card for entry 4333156

Preview

Coordinates	4333156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H28 Cl2 F2 N4 O3 Pt
Calculated formula	C37 H28 Cl2 F2 N4 O3 Pt
SMILES	c1(ccc(cc1)F)N(c1ccc(cc1)F)c1ccc(cc1)c1nnc(c2cc3[Pt]4([n]5c(c3cc2)cccc5)OC(=CC(=[O]4)C)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	12.5305 ± 0.0007 Å
b	16.5828 ± 0.0009 Å
c	18.2259 ± 0.001 Å
α	68.083 ± 0.001°
β	87.436 ± 0.001°
γ	81.322 ± 0.001°
Cell volume	3473 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	4333156.cif
98810	2014-01-30	cif/ Adding structures of 4333156 via cif-deposit CGI script.	4333156.cif