Crystallography Open Database

Information card for entry 7712354

Preview

Coordinates	7712354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 Br2 F2 N4 O4 Pt2
Calculated formula	C34 H20 Br2 F2 N4 O4 Pt2
SMILES	[Pt]12(c3cc(cc(c3c3[n]2cccc3)F)F)OC(=O)c2[n]1cc(Br)cc2.[Pt]12(c3c(c4[n]1cccc4)cccc3)OC(=O)c1[n]2cc(Br)cc1
Title of publication	Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield
Authors of publication	Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako
Journal of publication	Dalton Transactions
Year of publication	2023
a	18.1002 ± 0.0006 Å
b	7.8365 ± 0.0002 Å
c	20.7171 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2938.56 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
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
281083 (current)	2023-02-22	cif/ Adding structures of 7712352, 7712353, 7712354 via cif-deposit CGI script.	7712354.cif