Crystallography Open Database

Information card for entry 4068970

Preview

Coordinates	4068970.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	OA572
Formula	C28 H72 O4 P8 Ru2
Calculated formula	C28 H70.5 O4 P8 Ru2
Title of publication	Insertion of CO2into the Ru−C Bonds ofcis-andtrans-Ru(dmpe)2Me2(dmpe = Me2PCH2CH2PMe2)
Authors of publication	Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Willis, Anthony C.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2385
a	17.1167 ± 0.0008 Å
b	8.949 ± 0.0005 Å
c	28.1916 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	4318.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	0.86
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178579 (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 4/06/89.	4068970.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068970.cif
40069	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068967, 4068968, 4068969, 4068970 via cif-deposit CGI script.	4068970.cif