Crystallography Open Database

Information card for entry 7113374

Preview

Coordinates	7113374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Cl F10 N2 P2 Ru Sb
Calculated formula	C54 H44 Cl F10 N2 P2 Ru Sb
Title of publication	A new class of tethered-arene ruthenium(II) complexes with pendant P and C donor atoms: synthesis of eta6:eta1:eta1 phosphonio-azabutadienyl ruthenabicycles via allenylidene intermediates.
Authors of publication	Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	16
Pages of publication	1820 - 1821
a	16.4727 ± 0.0016 Å
b	17.1842 ± 0.0017 Å
c	20.571 ± 0.002 Å
α	90°
β	112.879 ± 0.002°
γ	90°
Cell volume	5364.9 ± 0.9 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1988
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.2328
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
180247 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113374.cif
114605	2014-05-28	cif/ Adding structures of 7113373, 7113374 via cif-deposit CGI script.	7113374.cif