Crystallography Open Database

Information card for entry 4134430

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Coordinates	4134430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C258 H226 B4 Cu4 N16 O8
Calculated formula	C258 H226 B4 Cu4 N16 O8
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	24.5777 ± 0.0008 Å
b	25.8125 ± 0.0008 Å
c	35.2575 ± 0.0011 Å
α	90°
β	107.858 ± 0.002°
γ	90°
Cell volume	21290.1 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.081
Weighted residual factors for significantly intense reflections	0.21
Weighted residual factors for all reflections included in the refinement	0.2241
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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