Crystallography Open Database

Information card for entry 1565034

Preview

Coordinates	1565034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Cl2 N4 O8 Pb
Calculated formula	C36 H44 Cl2 N4 O8 Pb
SMILES	[Pb]123[N]4(CC[N]3(CC[N]2(CC[N]1(CC4)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Exciplex formation as an approach to selective Copper(II) fluorescent sensors
Authors of publication	Correia, Bruna B.; Brown, Thomas R.; Reibenspies, Joseph H.; Lee, Hee-Seung; Hancock, Robert D.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119544
a	10.1622 ± 0.0004 Å
b	18.9273 ± 0.0007 Å
c	19.6809 ± 0.0007 Å
α	90°
β	91.106 ± 0.002°
γ	90°
Cell volume	3784.8 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270055 (current)	2021-10-21	cif/ Adding structures of 1565031, 1565032, 1565033, 1565034 via cif-deposit CGI script.	1565034.cif