Crystallography Open Database

Information card for entry 4068968

Preview

Coordinates	4068968.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 D3 O6 P4 Ru
Calculated formula	C16 H38 D3 O6 P4 Ru
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	9.709 ± 0.002 Å
b	18.743 ± 0.003 Å
c	14.004 ± 0.002 Å
α	90°
β	101.036 ± 0.002°
γ	90°
Cell volume	2501.3 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0917
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4068968.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068968.cif
40069	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068967, 4068968, 4068969, 4068970 via cif-deposit CGI script.	4068968.cif