Crystallography Open Database

Information card for entry 1565033

Preview

Coordinates	1565033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45 Cl N4 O4
Calculated formula	C36 H45 Cl N4 O4
SMILES	Cl(=O)(=O)(=O)[O-].N1(CCN(CC[NH+](CCN(CC1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
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	17.8371 ± 0.0008 Å
b	16.1543 ± 0.0008 Å
c	22.5723 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6504.1 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
270055 (current)	2021-10-21	cif/ Adding structures of 1565031, 1565032, 1565033, 1565034 via cif-deposit CGI script.	1565033.cif