Crystallography Open Database

Information card for entry 4340372

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Structure parameters

Formula	C53 H53 Cl6 Cu3 N3 O12
Calculated formula	C53 H53 Cl6 Cu3 N3 O12
SMILES	[Cu]1234OC(=C(c5c(C6=C(O[Cu]78([O]=C6C)[O]=C(C)C(=C(O8)C)c6c(C8=C(O[Cu]9([O]=C(C(=C(O9)C)c9ccccc9C(=C(O3)C)C(=[O]2)C)C)([n]2c[n]7c[n]4c2)[O]=C8C)C)cccc6)C)cccc5)C(=[O]1)C)C.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.
Authors of publication	Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	14
Pages of publication	7276 - 7287
a	31.932 ± 0.0011 Å
b	31.932 ± 0.0011 Å
c	38.4178 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	33924.6 ± 1.9 Å³
Cell temperature	297.8 ± 0.3 K
Ambient diffraction temperature	297.8 ± 0.3 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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