Crystallography Open Database

Information card for entry 4330658

Preview

Coordinates	4330658.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tt4115
Chemical name	tt4115
Formula	C43.65 H52.96 Cl1.34 F3 N2 O5 P2 Ru S
Calculated formula	C43.65 H52.96 Cl1.34 F3 N2 O5 P2 Ru S
Title of publication	Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases
Authors of publication	Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10916 - 10928
a	25.413 ± 0.003 Å
b	13.9781 ± 0.001 Å
c	25.488 ± 0.002 Å
α	90°
β	96.688 ± 0.008°
γ	90°
Cell volume	8992.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.0725
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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