Crystallography Open Database

Information card for entry 4330661

Preview

Coordinates	4330661.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tt_3_219
Chemical name	tt_3_219
Formula	C41 H59 Cl N2 P2 Ru
Calculated formula	C41 H59 Cl N2 P2 Ru
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	11.832 ± 0.0005 Å
b	17.2336 ± 0.0006 Å
c	20.2054 ± 0.0008 Å
α	93.416 ± 0.002°
β	102.043 ± 0.002°
γ	106.753 ± 0.002°
Cell volume	3826.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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