Crystallography Open Database

Information card for entry 7708301

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Coordinates	7708301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Br8 N4 Ni2 O6 Si4
Calculated formula	C48 H60 Br8 N4 Ni2 O6 Si4
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	15.4499 ± 0.0013 Å
b	23.9712 ± 0.0014 Å
c	17.9196 ± 0.0012 Å
α	90°
β	109.483 ± 0.008°
γ	90°
Cell volume	6256.6 ± 0.8 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	7
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	0.1203
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	0.888
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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