Crystallography Open Database

Information card for entry 7249045

Preview

Coordinates	7249045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Br4 N8 O2 Pb2
Calculated formula	C30 H24 Br4 N8 O2 Pb2
SMILES	c1cccc2c3[n]4[n](cc(c5ccc(cc5)OC)n3)[Pb]3([n]5ccccc5c5[n]3[n]([Pb]4([n]12)(Br)Br)cc(c1ccc(cc1)OC)n5)(Br)Br
Title of publication	1,2,4-triazine derived binuclear lead(ii) complexes: synthesis, spectroscopic and structural investigations and application in organic light-emitting diodes (OLEDs)
Authors of publication	Arkak, Akbar; Sadr, Moayad Hossaini; Janghouri, Mohammad; Marandi, Farzin; Fuhrmann, Daniel
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	30
Pages of publication	22006 - 22016
a	7.7597 ± 0.0005 Å
b	9.1203 ± 0.0005 Å
c	12.5054 ± 0.0007 Å
α	102.924 ± 0.004°
β	97.329 ± 0.004°
γ	97.611 ± 0.005°
Cell volume	843.6 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
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
293404 (current)	2024-07-13	cif/ Adding structures of 7249045, 7249046 via cif-deposit CGI script.	7249045.cif