Crystallography Open Database

Information card for entry 4079337

Preview

Coordinates	4079337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 B I N9 Ru
Calculated formula	C21 H33 B I N9 Ru
Title of publication	Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media
Authors of publication	Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	19
Pages of publication	6887
a	15.21 ± 0.0002 Å
b	18.029 ± 0.0003 Å
c	23.847 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6539.4 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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