Crystallography Open Database

Information card for entry 4108191

Preview

Coordinates	4108191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 B Cl N8 P Ru
Calculated formula	C37 H32 B Cl N8 P Ru
SMILES	[Ru]1234(Cl)([n]5n(ccc5)[BH](n5[n]1ccc5)n1[n]2ccc1)[n]1c(C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)[C]4#[N]3)cccc1.c1ccccc1
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	15.9983 ± 0.001 Å
b	13.3268 ± 0.0007 Å
c	16.9705 ± 0.0011 Å
α	90°
β	100.218 ± 0.001°
γ	90°
Cell volume	3560.8 ± 0.4 Å³
Cell temperature	296.1 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	4108191.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108191.cif
56527	2012-05-11	cif/ Adding structures of 4108191 via cif-deposit CGI script.	4108191.cif