Crystallography Open Database

Information card for entry 7112337

Preview

Coordinates	7112337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H82 Cl2 N4 O2 Pt2
Calculated formula	C83 H82 Cl2 N4 O2 Pt2
Title of publication	Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability
Authors of publication	Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2013
Journal volume	49
Journal issue	15
Pages of publication	1497 - 1499
a	13.5492 ± 0.0019 Å
b	15.83 ± 0.002 Å
c	17.648 ± 0.002 Å
α	95.117 ± 0.003°
β	110.674 ± 0.003°
γ	102.438 ± 0.003°
Cell volume	3401.3 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0364
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Duplicate of	7108845
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210829 (current)	2018-09-11	cif/7/ Updating bibliography in entries 7108844-7108845, 7112336-7112337. Marking entries 7112336-7112337 as duplicates of entries 7108844-7108845.	7112337.cif
180237	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/23.	7112337.cif
110025	2014-04-18	cif/ Adding structures of 7112336, 7112337 via cif-deposit CGI script.	7112337.cif