Crystallography Open Database

Information card for entry 7708304

Preview

Coordinates	7708304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.3333 H30.66667 Cl4.66667 Co N2 O3 Si2
Calculated formula	C24.3333 H30.6667 Cl4.66667 Co N2 O3 Si2
SMILES	[Co]123Oc4c(C=[N]2CCC[Si](O[Si](CCC[N]3=Cc2cc(Cl)cc(Cl)c2O1)(C)C)(C)C)cc(Cl)cc4Cl.ClCCl
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	15.6932 ± 0.0007 Å
b	17.4257 ± 0.001 Å
c	19.5315 ± 0.0009 Å
α	99.44 ± 0.004°
β	104.592 ± 0.004°
γ	109.205 ± 0.005°
Cell volume	4699.7 ± 0.5 Å³
Cell temperature	180.1 ± 0.2 K
Ambient diffraction temperature	180.1 ± 0.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1127
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	0.838
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	7708304.cif
269191	2021-09-18	cif/ Adding structures of 7708300, 7708301, 7708302, 7708303, 7708304, 7708305 via cif-deposit CGI script.	7708304.cif