Crystallography Open Database

Information card for entry 4300878

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Coordinates	4300878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H30 N4 O2 Ru
Calculated formula	C45 H28 N4 O2 Ru
Title of publication	Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins
Authors of publication	Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2039 - 2049
a	13.558 ± 0.0015 Å
b	13.558 ± 0.0015 Å
c	9.6846 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1780.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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