Crystallography Open Database

Information card for entry 7225558

Preview

Coordinates	7225558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 Br4 N8 Pb2
Calculated formula	C54 H48 Br4 N8 Pb2
SMILES	[Pb]1234([Br][Pb]567([Br]4)(Br)[n]4ccccc4C(=[N]5CCC[N]6=C(c4ccccc4)c4cccc[n]74)c4ccccc4)(Br)[n]4ccccc4C(=[N]1CCC[N]2=C(c1ccccc1)c1cccc[n]31)c1ccccc1
Title of publication	Inorganic-Organic Hybrid Materials Based on PbBr2 and Pyridine-Hydrazone Blocks ‒ Structural and Theoretical Study
Authors of publication	Mahmoudi, Ghodrat; Stilinovic, Vladimir; Bauza, Antonio; Frontera, Antonio; Bartyzel, Agata; Ruiz-Perez, Catalina; Kirillov, Alexander M.
Journal of publication	RSC Adv.
Year of publication	2016
a	10.1876 ± 0.0004 Å
b	10.6582 ± 0.0004 Å
c	12.8044 ± 0.0005 Å
α	94.099 ± 0.001°
β	103.293 ± 0.001°
γ	105.08 ± 0.002°
Cell volume	1293.66 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
183529 (current)	2016-06-16	cif/ Adding structures of 7225558, 7225559, 7225560, 7225561, 7225562 via cif-deposit CGI script.	7225558.cif