Crystallography Open Database

Information card for entry 7712353

Preview

Coordinates	7712353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Br N2 O2 Pt
Calculated formula	C17 H11 Br N2 O2 Pt
SMILES	[Pt]12(c3c(c4[n]2cccc4)cccc3)[n]2c(ccc(Br)c2)C(=O)O1
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	7.1788 ± 0.0001 Å
b	20.8576 ± 0.0004 Å
c	9.8686 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1477.65 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7712353.cif