Crystallography Open Database

Information card for entry 7209053

7209052 << 7209053 >> 7209054

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Coordinates	7209053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H64 Cu3 N6 O13
Calculated formula	C49.02 H60.03 Cu3 N6 O12.99
Title of publication	C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering
Authors of publication	Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	294
a	20.274 ± 0.003 Å
b	20.274 ± 0.003 Å
c	11.094 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3949.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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