Crystallography Open Database

Information card for entry 7016040

Preview

Coordinates	7016040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H50 N4 Sc Si2
Calculated formula	C22 H50 N4 Sc Si2
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	9.8036 ± 0.0006 Å
b	29.4693 ± 0.0017 Å
c	10.6418 ± 0.0006 Å
α	90°
β	113.649 ± 0.001°
γ	90°
Cell volume	2816.3 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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