Crystallography Open Database

Information card for entry 4516612

Preview

Coordinates	4516612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 F6 N4 O P Pt
Calculated formula	C35 H35 F6 N4 O P Pt
SMILES	[Pt]1(=C2N(C=CN2C)c2cc3ccccc3cc12)(C#[N]c1c(C)cccc1C)C#[N]c1c(cccc1C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
Title of publication	White Light Emission from Planar Remote Phosphor Based on NHC Cycloplatinated Complexes.
Authors of publication	Fuertes, Sara; Chueca, Andrés J; Perálvarez, Mariano; Borja, Pilar; Torrell, Marc; Carreras, Josep; Sicilia, Violeta
Journal of publication	ACS applied materials & interfaces
Year of publication	2016
Journal volume	8
Journal issue	25
Pages of publication	16160 - 16169
a	9.785 ± 0.005 Å
b	11.87 ± 0.005 Å
c	31.557 ± 0.005 Å
α	85.773 ± 0.005°
β	89.808 ± 0.005°
γ	67.175 ± 0.005°
Cell volume	3368 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.185
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251896 (current)	2020-05-08	cif/4 Fixing Z values and formulae	4516612.cif
239404	2019-11-24	cif/ Adding structures of 4516609, 4516610, 4516611, 4516612 via cif-deposit CGI script.	4516612.cif