Crystallography Open Database

Information card for entry 4071274

Preview

Coordinates	4071274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H25 Cl2 P Ru
Calculated formula	C15 H25 Cl2 P Ru
SMILES	[Ru]123456([P@@](CC[c]76[cH]1[c]2([cH]3[c]4([cH]57)C)C)(C)C(C)(C)C)(Cl)Cl
Title of publication	Synthesis and Reactivity of P-Chiral Tethered (η1:η6-phosphinoarene)ruthenium Complexes
Authors of publication	Aznar, Rosario; Muller, Guillermo; Sainz, Daniel; Font-Bardia, Mercè; Solans, Xavier
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	1967
a	7.467 ± 0.003 Å
b	13.096 ± 0.004 Å
c	17.923 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1752.7 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
178601 (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 4/07/12.	4071274.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071274.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071274.cif
43131	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071274 via cif-deposit CGI script.	4071274.cif