Crystallography Open Database

Information card for entry 7708305

Preview

Coordinates	7708305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 Cu N2 O5 Si2
Calculated formula	C24 H34 Cu N2 O5 Si2
SMILES	[Cu]123Oc4c(O)cccc4C=[N]2CCC[Si](O[Si](C)(C)CCC[N]3=Cc2cccc(O)c2O1)(C)C
Title of publication	Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.
Authors of publication	Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	14.9833 ± 0.0018 Å
b	14.3565 ± 0.0011 Å
c	26.913 ± 0.002 Å
α	90°
β	96.812 ± 0.01°
γ	90°
Cell volume	5748.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.2303
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	0.822
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
294865 (current)	2024-09-24	cif/7: Fixing Z values and formulae	7708305.cif
269191	2021-09-18	cif/ Adding structures of 7708300, 7708301, 7708302, 7708303, 7708304, 7708305 via cif-deposit CGI script.	7708305.cif