Crystallography Open Database

Information card for entry 4073573

Preview

Coordinates	4073573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H74 F12 O3 P4 Ru2
Calculated formula	C66 H74 F12 O3 P4 Ru2
Title of publication	Regioselective Synthesis of η4-Dienylphosphane Ruthenium Complexes by Oxidative Coupling Reactions
Authors of publication	Díez, J.; Gamasa, M. P.; Lastra, E.; Villar, A.; Pérez-Carreño, E.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	22
Pages of publication	5315
a	13.1933 ± 0.0005 Å
b	11.7672 ± 0.0005 Å
c	21.042 ± 0.0007 Å
α	90°
β	105.379 ± 0.002°
γ	90°
Cell volume	3149.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4073573.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073573.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073573.cif
46426	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073573, 4073574, 4073575, 4073576 via cif-deposit CGI script.	4073573.cif