Crystallography Open Database

Information card for entry 4083090

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Coordinates	4083090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C177 H126 Cl2 F48 N12 O8 Ru2
Calculated formula	C177 H126 Cl2 F48 N12 O8 Ru2
Title of publication	Synthesis of Biologically Relevant Compounds by Ruthenium Porphyrin Catalyzed Amination of Benzylic C‒H Bonds
Authors of publication	Zardi, Paolo; Caselli, Alessandro; Macchi, Piero; Ferretti, Francesco; Gallo, Emma
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	9
Pages of publication	2210
a	47.9884 ± 0.0009 Å
b	15.0488 ± 0.0004 Å
c	25.7745 ± 0.0005 Å
α	90°
β	111.456 ± 0.002°
γ	90°
Cell volume	17323.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1279
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.2325
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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