Crystallography Open Database

Information card for entry 4515336

Preview

Coordinates	4515336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H25 F4 N5 Pt
Calculated formula	C32 H25 F4 N5 Pt
Title of publication	Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers.
Authors of publication	Wilde, Sebastian; Ma, Dongxin; Koch, Tobias; Bakker, Anne; Gonzalez-Abradelo, Dario; Stegemann, Linda; Daniliuc, Constantin G.; Fuchs, Harald; Gao, Hongying; Doltsinis, Nikos L.; Duan, Lian; Strassert, Cristian A.
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	26
Pages of publication	22460 - 22473
a	24.3106 ± 0.0004 Å
b	9.911 ± 0.0002 Å
c	24.9818 ± 0.0005 Å
α	90°
β	116.156 ± 0.001°
γ	90°
Cell volume	5402.79 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225494 (current)	2019-11-10	cif/ Adding structures of 4515336 via cif-deposit CGI script.	4515336.cif