Crystallography Open Database

Information card for entry 4347355

Preview

Coordinates	4347355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H72 Ag2 Br2 P6
Calculated formula	C90 H72 Ag2 Br2 P6
SMILES	c12c([P]([Ag]([P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Br)(c1ccccc1)c1ccccc1)cc1c(c2)[P]([Ag]([P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Br)(c1ccccc1)c1ccccc1
Title of publication	Highly Efficient Thermally Activated Delayed Fluorescence in Dinuclear Ag(I) Complexes with a Bis-Bidentate Tetraphosphane Bridging Ligand.
Authors of publication	Chen, Jin; Teng, Teng; Kang, Liju; Chen, Xu-Lin; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	19
Pages of publication	9528 - 9536
a	11.5439 ± 0.0005 Å
b	12.3705 ± 0.0003 Å
c	15.2295 ± 0.0006 Å
α	100.985 ± 0.003°
β	109.494 ± 0.004°
γ	101.165 ± 0.003°
Cell volume	1933.29 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232284 (current)	2019-11-23	cif/ Adding structures of 4347355 via cif-deposit CGI script.	4347355.cif