Crystallography Open Database

Information card for entry 4065948

Preview

Coordinates	4065948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.5 H62.5 Cl2 Fe2 O2 P6 Ru S4
Calculated formula	C59.5 H52 Cl2 Fe2 O2 P4 Ru S4
Title of publication	Ruthenium Complexes with Dithiophosphonates [Ar(RO)PS2]−and [Fc(RO)PS2]−(Ar =p-CH3OC6H4, Fc = Fe(η5-C5H4)(η5-C5H5))
Authors of publication	Wang, Xi-Ying; Li, Yan; Ma, Qing; Zhang, Qian-Feng
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2752
a	45.423 ± 0.0012 Å
b	11.9748 ± 0.0002 Å
c	22.3738 ± 0.0004 Å
α	90°
β	104.942 ± 0.002°
γ	90°
Cell volume	11758.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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