Crystallography Open Database

Information card for entry 4067570

Preview

Coordinates	4067570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H56 P4 Ru
Calculated formula	C29 H56 P4 Ru
SMILES	[Ru]12([P](CC[P]2(C)C)(C)C)(C)([P](C)(C)CC[P]1(C)C)C#Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Title of publication	Controlled Synthesis of Dinuclear Acetylide-Bridged Ruthenium Complexes
Authors of publication	Field, Leslie D.; Magill, Alison M.; Shearer, Timothy K.; Colbran, Stephen B.; Lee, Sang T.; Dalgarno, Scott J.; Bhadbhade, Mohan M.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	957
a	10.109 ± 0.002 Å
b	13.5 ± 0.003 Å
c	13.66 ± 0.003 Å
α	77.7 ± 0.03°
β	72.79 ± 0.03°
γ	68.84 ± 0.03°
Cell volume	1648.8 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0956
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1266
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
178566 (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 4/06/75.	4067570.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067570.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067570.cif
34233	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067570, 4067571, 4067572 via cif-deposit CGI script.	4067570.cif