Crystallography Open Database

Information card for entry 7702890

Preview

Coordinates	7702890.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rubim_Cl
Chemical name	Rubim_Cl
Formula	C21 H17 Cl F6 N7 P Ru
Calculated formula	C21 H17 Cl F6 N7 P Ru
Title of publication	A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions.
Authors of publication	Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	42
Pages of publication	13081 - 13089
a	8.6074 ± 0.0019 Å
b	8.6074 ± 0.0019 Å
c	32.612 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2416.1 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244220 (current)	2019-11-28	cif/ Adding structures of 7702890, 7702891 via cif-deposit CGI script.	7702890.cif