Crystallography Open Database

Information card for entry 4071051

Preview

Coordinates	4071051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H80 Cl4 N6 P2 Ru S
Calculated formula	C81 H80 Cl4 N6 P2 Ru S
Title of publication	(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond
Authors of publication	Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1809
a	13.2605 ± 0.0002 Å
b	31.3082 ± 0.0003 Å
c	17.3833 ± 0.0002 Å
α	90°
β	91.241 ± 0.001°
γ	90°
Cell volume	7215.2 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0686
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178599 (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 4/07/10.	4071051.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071051.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071051.cif
43011	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071047, 4071048, 4071049, 4071050, 4071051 via cif-deposit CGI script.	4071051.cif