Crystallography Open Database

Information card for entry 4067422

Preview

Coordinates	4067422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H113 Fe2 N12 Sc2 Si4
Calculated formula	C77 H113 Fe2 N12 Sc2 Si4
Title of publication	Coupling of Aromatic N-Heterocycles Mediated by Group 3 Complexes
Authors of publication	Carver, Colin T.; Williams, Bryan N.; Ogilby, Kevin R.; Diaconescu, Paula L.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	4
Pages of publication	835
a	11.7625 ± 0.0014 Å
b	17.923 ± 0.002 Å
c	19.918 ± 0.002 Å
α	78.96 ± 0.001°
β	80.862 ± 0.001°
γ	81.288 ± 0.001°
Cell volume	4037.2 ± 0.8 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.146
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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