Crystallography Open Database

Information card for entry 4349119

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Coordinates	4349119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H204 Cu29 N60 O37 S
Calculated formula	C127 H183 Cu29 N60 O37 S
Title of publication	Sulfate-Incarcerating Nanojars: Solution and Solid-State Studies, Sulfate Extraction from Water, and Anion Exchange with Carbonate.
Authors of publication	Ahmed, Basil M.; Hartman, Christian K.; Mezei, Gellert
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10666 - 10679
a	27.0011 ± 0.0005 Å
b	31.0554 ± 0.0006 Å
c	23.9147 ± 0.0005 Å
α	90°
β	112.705 ± 0.001°
γ	90°
Cell volume	18499.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0815
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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