Crystallography Open Database

Information card for entry 7106582

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Coordinates	7106582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H65 Cl4 N6 O6 S
Calculated formula	C42 H65 Cl4 N6 O6 S
Title of publication	Supramolecular Organization of Calix[4]pyrrole with a Methyl-trialkylammonium Anion Exchanger Leads to Remarkable Reversal of Selectivity for Sulfate Extraction vs Nitrate
Authors of publication	Christopher J. Borman; Radu Custelcean; Ben P. Hay; Nathan L. Bill; Jonathan L. Sessler; Bruce A. Moyer
Journal of publication	Chem. Commun.
Year of publication	2011
Journal volume	47
Pages of publication	7611
a	10.6011 ± 0.0007 Å
b	20.9725 ± 0.0015 Å
c	11.2587 ± 0.0008 Å
α	90°
β	91.612 ± 0.001°
γ	90°
Cell volume	2502.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1829
Residual factor for significantly intense reflections	0.1469
Weighted residual factors for significantly intense reflections	0.41
Weighted residual factors for all reflections included in the refinement	0.4435
Goodness-of-fit parameter for all reflections included in the refinement	1.684
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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