Crystallography Open Database

Information card for entry 4074607

Preview

Coordinates	4074607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cl F6 N P2 Ru
Calculated formula	C24 H36 Cl F6 N P2 Ru
SMILES	[Ru]123456(Cl)([P]7(CCC[c]86[cH]1[cH]2[cH]3[cH]4[cH]58)[C@@H](C[C@H]7C(C)C)C(C)C)[NH2]c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1
Authors of publication	Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2607
a	10.3198 ± 0.0008 Å
b	20.126 ± 0.002 Å
c	13.0266 ± 0.0004 Å
α	90°
β	93.332 ± 0.004°
γ	90°
Cell volume	2701 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	0.859
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
178635 (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 4/07/46.	4074607.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074607.cif
48608	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074603, 4074604, 4074605, 4074606, 4074607, 4074608 via cif-deposit CGI script.	4074607.cif