Crystallography Open Database

Information card for entry 4105433

Preview

Coordinates	4105433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H51.81 B33 I33 O23.15
Calculated formula	C3 H51.816 B33 I33 O23.158
Title of publication	Haq+ Structures in Proton Wires inside Nanotubes
Authors of publication	Evgenii S. Stoyanov; Irina V. Stoyanova; Fook S. Tham; Christopher A. Reed
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	17540 - 17541
a	9.9261 ± 0.0001 Å
b	21.6927 ± 0.0003 Å
c	23.8136 ± 0.0003 Å
α	87.5427 ± 0.0005°
β	84.6721 ± 0.0005°
γ	81.838 ± 0.0005°
Cell volume	5051.47 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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