Crystallography Open Database

Information card for entry 4082647

Preview

Coordinates	4082647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C119 H96 Cl2 N6 P4 Ru2
Calculated formula	C119 H96 Cl2 N6 P4 Ru2
Title of publication	Reactions of [RuCl2(PPh3)3] with Nitron and with the “Enders Carbene”: Access to Ruthenium(III) NHC Complexes
Authors of publication	Hitzel, Sandra; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	425
a	23.5798 ± 0.0012 Å
b	14.0799 ± 0.0006 Å
c	30.438 ± 0.0015 Å
α	90°
β	101.877 ± 0.004°
γ	90°
Cell volume	9889.1 ± 0.8 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	0.812
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178715 (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 4/08/26.	4082647.cif
104470	2014-03-11	cif/ Adding structures of 4082644, 4082645, 4082646, 4082647, 4082648 via cif-deposit CGI script.	4082647.cif