Crystallography Open Database

Information card for entry 4085580

Preview

Coordinates	4085580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 B Cl N8 O Ru
Calculated formula	C19 H23 B Cl N8 O Ru
SMILES	[Ru]123(Cl)([N](=O)c4c(N3)ccc(c4)C(C)(C)C)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1
Title of publication	Ortho−Nitrosation of Anilines on a Ruthenium Hydridotris(pyrazolyl)borato Complex and Oxidation of the Resulting Coordinated Amine Groups
Authors of publication	Arikawa, Yasuhiro; Yamaguchi, Soseki; Otsubo, Yuji; Onishi, Masayoshi; Umakoshi, Keisuke
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	6
Pages of publication	1056
a	7.9847 ± 0.0019 Å
b	13.189 ± 0.004 Å
c	20.956 ± 0.006 Å
α	90°
β	91.67 ± 0.004°
γ	90°
Cell volume	2205.9 ± 1.1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085580.cif
134854	2015-04-04	cif/ Updating files of 4085576, 4085577, 4085578, 4085579, 4085580 Original log message: Adding full bibliography for 4085576--4085580.cif.	4085580.cif
132702	2015-03-04	cif/ Adding structures of 4085576, 4085577, 4085578, 4085579, 4085580 via cif-deposit CGI script.	4085580.cif