Crystallography Open Database

Information card for entry 1574223

Preview

Coordinates	1574223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 Ag2 Cl4 F12 N8 P2 Pt2
Calculated formula	C50 H56 Ag2 Cl4 F12 N8 P2 Pt2
SMILES	[N](#C[Pt]1(C#[N]C(C)(C)C)[C]2#Cc3[n]([Ag]([n]4c(C#C1)cccc4)[C]1#Cc4[n]([Ag]2[n]2c(C#C[Pt]1(C#[N]C(C)(C)C)C#[N]C(C)(C)C)cccc2)cccc4)cccc3)C(C)(C)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Enhanced blue phosphorescence in platinum acetylide complexes via a secondary heavy metal and anion-controlled aggregation
Authors of publication	Dang, Vinh Q.; Jiang, Chenggang; Teets, Thomas S.
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	17
Pages of publication	7302 - 7310
a	11.611 ± 0.005 Å
b	13.011 ± 0.006 Å
c	21.235 ± 0.009 Å
α	90°
β	101.158 ± 0.005°
γ	90°
Cell volume	3147 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
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	0.0625
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
300576 (current)	2025-07-06	cif/ Updating files of 1574222, 1574223, 1574224, 1574225 Original log message: Adding full bibliography for 1574222--1574225.cif.	1574223.cif
298580	2025-03-26	cif/ Adding structures of 1574222, 1574223, 1574224, 1574225 via cif-deposit CGI script.	1574223.cif