Crystallography Open Database

Information card for entry 7108229

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Coordinates	7108229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H75 I N6 S6
Calculated formula	C67 H78 I N6 S6
Title of publication	Selective encapsulation of volatile and reactive methyl iodide
Authors of publication	Yih-Chern Horng; Pin-Shen Huang; Chang-Chih Hsieh; Chih-Hong Kuo; Ting-Shen Kuo
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	8844
a	17.8042 ± 0.0002 Å
b	17.8042 ± 0.0002 Å
c	47.6257 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	13074.3 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2543
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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