Crystallography Open Database

Information card for entry 4079339

Preview

Coordinates	4079339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 B I N8 Ru
Calculated formula	C19 H28 B I N8 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	9.7743 ± 0.0013 Å
b	13.5331 ± 0.0019 Å
c	19.326 ± 0.003 Å
α	87.652 ± 0.003°
β	87.166 ± 0.003°
γ	85.888 ± 0.003°
Cell volume	2544.9 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.194
Weighted residual factors for all reflections included in the refinement	0.203
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178682 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/93.	4079339.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079339.cif
72404	2013-01-21	cif/ Adding structures of 4079330, 4079331, 4079332, 4079333, 4079334, 4079335, 4079336, 4079337, 4079338, 4079339 via cif-deposit CGI script.	4079339.cif