Crystallography Open Database

Information card for entry 4347354

Preview

Coordinates	4347354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H72 Ag2 I2 P6
Calculated formula	C90 H72 Ag2 I2 P6
SMILES	c12[P](c3ccccc3)([Ag]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(I)[P](c1cc1c(c2)[P]([Ag](I)([P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)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	15.9083 ± 0.0009 Å
b	10.9914 ± 0.0006 Å
c	22.853 ± 0.0012 Å
α	90°
β	105.216 ± 0.006°
γ	90°
Cell volume	3855.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0751
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1938
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232283 (current)	2019-11-23	cif/ Adding structures of 4347354 via cif-deposit CGI script.	4347354.cif