Crystallography Open Database

Information card for entry 4106755

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Coordinates	4106755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 B F6 N5 O5 Ru S
Calculated formula	C20 H20 B F6 N5 O5 Ru S
Title of publication	A Robust, Air-Stable, Reusable Ruthenium Catalyst for Dehydrogenation of Ammonia Borane
Authors of publication	Brian L. Conley; Denver Guess; Travis J. Williams
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	14212 - 14215
a	11.7943 ± 0.0001 Å
b	12.0767 ± 0.0001 Å
c	22.5791 ± 0.0003 Å
α	90°
β	111.838 ± 0.001°
γ	90°
Cell volume	2985.29 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0431
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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