Crystallography Open Database

Information card for entry 1517442

Preview

Coordinates	1517442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H85 Cl3 N4 O2 Pt2
Calculated formula	C99 H85 Cl3 N4 O2 Pt2
Title of publication	Structurally robust phosphorescent [Pt(O^N^C^N)] emitters for high performance organic light-emitting devices with power efficiency up to 126 lm W−1and external quantum efficiency over 20%
Authors of publication	Cheng, Gang; Kui, Steven C. F.; Ang, Wai-Hung; Ko, Man-Ying; Chow, Pui-Keong; Kwong, Chun-Lam; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Low, Kam-Hung; Su, Shi-Jian; Che, Chi-Ming
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	12
Pages of publication	4819
a	12.4607 ± 0.0005 Å
b	12.792 ± 0.0005 Å
c	14.1587 ± 0.0006 Å
α	67.97 ± 0.001°
β	85.66 ± 0.001°
γ	68.671 ± 0.001°
Cell volume	1943.96 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517442.cif
126320	2014-11-06	cif/ Updating files of 1517442 Original log message: Adding full bibliography for 1517442.cif.	1517442.cif
122515	2014-08-27	cif/ Adding structures of 1517442 via cif-deposit CGI script.	1517442.cif