Crystallography Open Database

Information card for entry 4084561

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Coordinates	4084561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H102 Cl4 N4 O3 Ru2
Calculated formula	C84 H102 Cl4 N4 O3 Ru2
Title of publication	Novel Olefin Metathesis Ruthenium Catalysts Bearing Backbone-Substituted Unsymmetrical NHC Ligands
Authors of publication	Paradiso, Veronica; Bertolasi, Valerio; Grisi, Fabia
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	5932
a	10.981 ± 0.0002 Å
b	11.0325 ± 0.0002 Å
c	20.8647 ± 0.0004 Å
α	76.9799 ± 0.0007°
β	86.9927 ± 0.0008°
γ	61.5591 ± 0.0009°
Cell volume	2161.06 ± 0.07 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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