Crystallography Open Database

Information card for entry 7016039

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Coordinates	7016039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H45 N6 Sc Si3
Calculated formula	C17 H45 N6 Sc Si3
Title of publication	Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.
Authors of publication	Buffet, Jean-Charles; Okuda, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	30
Pages of publication	7748 - 7754
a	30.938 ± 0.002 Å
b	8.685 ± 0.003 Å
c	19.4606 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5229 ± 1.9 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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