Crystallography Open Database

Information card for entry 4069653

Preview

Coordinates	4069653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 O4 Ru2
Calculated formula	C32 H34 O4 Ru2
Title of publication	Reactions of Dihydrooctamethyl-s-indacene and 1,2,3,4,7-Pentamethylindene with Ru3(CO)12: Intramolecular sp3C−H Activation
Authors of publication	Xu, Kun; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	15
Pages of publication	4438
a	9.4669 ± 0.0019 Å
b	9.845 ± 0.002 Å
c	15.165 ± 0.003 Å
α	104.11 ± 0.03°
β	91 ± 0.03°
γ	91.54 ± 0.03°
Cell volume	1369.8 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
178585 (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 4/06/96.	4069653.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069653.cif
40377	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069649, 4069650, 4069651, 4069652, 4069653, 4069654 via cif-deposit CGI script.	4069653.cif