Crystallography Open Database

Information card for entry 4108188

Preview

Coordinates	4108188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 B Cl N8 O Ru
Calculated formula	C17 H18 B Cl N8 O Ru
SMILES	[Ru]123(Cl)([N](=O)C=Cc4[n]3cc(cc4)C)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1
Title of publication	N-C Bond Formation of NO Ligands on Ruthenium Complexes with Concurrent Vinylic C-H Activation and Subsequent Proton-Induced Reactivities of the Resulting Nitrosovinyl Species
Authors of publication	Yasuhiro Arikawa; Taiki Asayama; Kazuki Itatani; Masayoshi Onishi
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10508 - 10509
a	10.1937 ± 0.0017 Å
b	14.149 ± 0.002 Å
c	13.872 ± 0.002 Å
α	90°
β	101.328 ± 0.002°
γ	90°
Cell volume	1961.8 ± 0.5 Å³
Cell temperature	123.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4108188.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108188.cif
56524	2012-05-11	cif/ Adding structures of 4108188 via cif-deposit CGI script.	4108188.cif