Crystallography Open Database

Information card for entry 4068969

Preview

Coordinates	4068969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H36 P4 Ru
Calculated formula	C13 H36 P4 Ru
SMILES	[RuH]12([P](C)(C)CC[P]1(C)C)([P](CC[P]2(C)C)(C)C)C
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	17.6025 ± 0.0014 Å
b	9.1856 ± 0.0007 Å
c	12.2908 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1987.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
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.	4068969.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068969.cif
40069	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068967, 4068968, 4068969, 4068970 via cif-deposit CGI script.	4068969.cif