Crystallography Open Database

Information card for entry 1559992

Preview

Coordinates	1559992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H21 N3 O Pt
Calculated formula	C29 H21 N3 O Pt
SMILES	[Pt]123[n]4c(N(c5[n]2c(c2c1cccc2)ccc5)c1ccc(cc1)OC)cccc4c1c3cccc1
Title of publication	Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters
Authors of publication	Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	9
Pages of publication	3270 - 3281
a	10.309 ± 0.0002 Å
b	13.9097 ± 0.0002 Å
c	15.4326 ± 0.0003 Å
α	90°
β	101.658 ± 0.0001°
γ	90°
Cell volume	2167.31 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0332
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
263695 (current)	2021-04-05	cif/ Updating files of 1559992, 1559993, 1559994, 1559995, 1559996 Original log message: Adding full bibliography for 1559992--1559996.cif.	1559992.cif
260845	2021-01-08	cif/ Adding structures of 1559992, 1559993, 1559994, 1559995, 1559996 via cif-deposit CGI script.	1559992.cif