Crystallography Open Database

Information card for entry 4134431

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Coordinates	4134431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H108 B6 F24 N28 Zn4
Calculated formula	C144 H108 B6 F24 N28 Zn4
Title of publication	Simultaneous Generation of a [2 ×2] Grid-Like Complex and a Linear Double Helicate: a Three-Level Self-Sorting Process.
Authors of publication	Ayme, Jean-François; Lehn, Jean-Marie; Bailly, Corinne; Karmazin, Lydia
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	12
Pages of publication	5819 - 5824
a	20.5323 ± 0.0006 Å
b	20.5323 ± 0.0006 Å
c	41.7019 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	17580.5 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.2122
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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