Crystallography Open Database

Information card for entry 4075951

Preview

Coordinates	4075951.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	A Multifunctional Platinum-Based Triplet Emitter for OLED Applications#
Authors of publication	Wong, Wai-Yeung; He, Ze; So, Shu-Kong; Tong, Ka-Lap; Lin, Zhenyang
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	4079 - 4082
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	273 ± 2 K
Ambient diffraction temperature	273 ± 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

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