Crystallography Open Database

Information card for entry 4312204

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Coordinates	4312204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26.5 F6 N6.5 O P Ru S
Calculated formula	C26 H26.5 F6 N6.5 O P Ru S
Title of publication	Multiple Pathways for the Oxygenation of a Ruthenium(II) Dithiocarbamate Complex: S-Oxygenation and S-Extrusion
Authors of publication	Szeman Ng; Joseph W. Ziller; Patrick J. Farmer
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	8301 - 8309
a	19.6122 ± 0.0014 Å
b	18.277 ± 0.0013 Å
c	16.1495 ± 0.0012 Å
α	90°
β	102.112 ± 0.001°
γ	90°
Cell volume	5660 ± 0.7 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	8
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	0.0739
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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