Crystallography Open Database

Information card for entry 4068701

Preview

Coordinates	4068701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 Ir P Ru2
Calculated formula	C36 H64 Ir P Ru2
Title of publication	Heterometallic Trinuclear Polyhydrido Complexes Containing Ruthenium and a Group 9 Metal, [Cp3Ru2M(μ3-H)(μ-H)3] (M = Ir or Rh; Cp = η5-C5Me5): Synthesis, Structure, and Site Selectivity in Reactions with Phosphines
Authors of publication	Shima, Takanori; Sugimura, Yumi; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	3
Pages of publication	871
a	11.085 ± 0.002 Å
b	18.882 ± 0.004 Å
c	18.078 ± 0.004 Å
α	90°
β	94.49 ± 0.03°
γ	90°
Cell volume	3772.2 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0924
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1785
Weighted residual factors for all reflections included in the refinement	0.1971
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178577 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/87.	4068701.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068701.cif
39937	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068700, 4068701, 4068702 via cif-deposit CGI script.	4068701.cif