Crystallography Open Database

Information card for entry 4333155

Preview

Coordinates	4333155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H20 F2 N4 O
Calculated formula	C31 H20 F2 N4 O
SMILES	c1(ccc(cc1)N(c1ccc(cc1)F)c1ccc(cc1)c1nnc(c2ccc(cc2)c2ccccn2)o1)F
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	9.3204 ± 0.0007 Å
b	11.9915 ± 0.0009 Å
c	12.1553 ± 0.0009 Å
α	73.676 ± 0.001°
β	83.694 ± 0.001°
γ	77.613 ± 0.001°
Cell volume	1271.65 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0932
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	4333155.cif
98809	2014-01-30	cif/ Adding structures of 4333155 via cif-deposit CGI script.	4333155.cif