Crystallography Open Database

Information card for entry 7234625

Preview

Coordinates	7234625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H29 F2 N4 P Pt
Calculated formula	C35 H29 F2 N4 P Pt
SMILES	[Pt]12(n3nc(nc3c3[n]1c(ccc3)c1c(cc(cc21)F)F)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs
Authors of publication	Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2560 - 2565
a	10.2152 ± 0.0002 Å
b	10.8813 ± 0.0002 Å
c	15.7154 ± 0.0002 Å
α	96.105 ± 0.001°
β	104.356 ± 0.001°
γ	104.287 ± 0.002°
Cell volume	1613.63 ± 0.05 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0479
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
219358 (current)	2019-10-15	cif/ Adding structures of 7234625, 7234626, 7234627 via cif-deposit CGI script.	7234625.cif