Crystallography Open Database

Information card for entry 4065947

Preview

Coordinates	4065947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Cl2 O4.5 P2 Ru S4
Calculated formula	C25 H33 Cl2 O4.5 P2 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	12.856 ± 0.0002 Å
b	22.4052 ± 0.0004 Å
c	23.8151 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6859.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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