Crystallography Open Database

Information card for entry 7052742

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Coordinates	7052742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H43 Ca N5 Si2
Calculated formula	C17 H43 Ca N5 Si2
Title of publication	Alkaline earth metal amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure, and ring-opening polymerization activity towards lactide monomers
Authors of publication	Buffet, Jean-Charles; Davin, Julien P.; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2253
a	15.8305 ± 0.001 Å
b	14.9065 ± 0.0009 Å
c	21.3107 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5028.8 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	0.86
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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