Crystallography Open Database

Information card for entry 4117535

Preview

Coordinates	4117535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 Ga10 N9 O3 S16
Calculated formula	C21 H27 Ga10 N9 O3 S16
Title of publication	Superbase Route to Supertetrahedral Chalcogenide Clusters
Authors of publication	Tao Wu; Xianhui Bu; Puhong Liao; Le Wang; Shou-Tian Zheng; Richard Ma; Pingyun Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3619 - 3622
a	21.7073 ± 0.0001 Å
b	21.7073 ± 0.0001 Å
c	28.5686 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	11658.2 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2905
Weighted residual factors for all reflections included in the refinement	0.3203
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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