Crystallography Open Database

Information card for entry 1543440

Preview

Coordinates	1543440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H36 F2 N2 O Pd
Calculated formula	C43 H36 F2 N2 O Pd
SMILES	[Pd]123c4c(c5[n]1cccc5)c(F)cc(F)c4Oc1c3c(C3(c4[n]2cccc4)c2cc(C(C)(C)C)ccc2c2ccc(cc32)C(C)(C)C)ccc1
Title of publication	Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs
Authors of publication	Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	9
Pages of publication	6083
a	15.2388 ± 0.0013 Å
b	14.5866 ± 0.0013 Å
c	15.9868 ± 0.0014 Å
α	90°
β	106.442 ± 0.0018°
γ	90°
Cell volume	3408.3 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186325 (current)	2016-09-10	cif/ Updating files of 1543439, 1543440 Original log message: Adding full bibliography for 1543439--1543440.cif.	1543440.cif
183501	2016-06-16	cif/ Adding structures of 1543439, 1543440 via cif-deposit CGI script.	1543440.cif