Crystallography Open Database

Information card for entry 4327246

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Coordinates	4327246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H240 N24 O44 S2
Calculated formula	C102 H162.12 N23 O29 S2
Title of publication	Rugby-Ball-Shaped Sulfate-Water-Sulfate Adduct Encapsulated in a Neutral Molecular Receptor Capsule
Authors of publication	D. Amilan Jose; D. Krishna Kumar; Bishwajit Ganguly; Amitava Das
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5817 - 5819
a	17.23 ± 0.01 Å
b	17.23 ± 0.01 Å
c	39.99 ± 0.05 Å
α	90°
β	90°
γ	120°
Cell volume	10281 ± 15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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