Crystallography Open Database

Information card for entry 4070938

Preview

Coordinates	4070938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H44 B Cl4 P Ru
Calculated formula	C33 H44 B Cl4 P Ru
SMILES	C(CB1C2CCCC1CCC2)[P](c1ccccc1)(c1ccccc1)[Ru]12345([c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)]
Authors of publication	Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1140
a	17.312 ± 0.004 Å
b	13.681 ± 0.003 Å
c	28.015 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6635 ± 3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1549
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178598 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/09.	4070938.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070938.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070938.cif
42866	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070938 via cif-deposit CGI script.	4070938.cif