Crystallography Open Database

Information card for entry 4104143

Preview

Coordinates	4104143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H80 Cu4 N8 O30
Calculated formula	C56 H80 Cu4 N8 O30
Title of publication	Constructing Robust Channel Structures by Packing Metallacalixarenes: Reversible Single-Crystal-to-Single-Crystal Dehydration
Authors of publication	Cristian D. Ene; Augustin M. Madalan; Catalin Maxim; Bogdan Jurca; Narcis Avarvari; Marius Andruh
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4586 - 4587
a	17.1318 ± 0.0005 Å
b	17.1318 ± 0.0005 Å
c	15.0575 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4419.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	104
Hermann-Mauguin space group symbol	P 4 n c
Hall space group symbol	P 4 -2n
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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