Crystallography Open Database

Information card for entry 4084711

Preview

Coordinates	4084711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H65 B2 Lu N2 O2
Calculated formula	C37 H65 B2 Lu N2 O2
Title of publication	β-Diketiminate Rare Earth Borohydride Complexes: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of ε-Caprolactone and Trimethylene Carbonate
Authors of publication	Schmid, Matthias; Guillaume, Sophie M.; Roesky, Peter W.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5392
a	11.7844 ± 0.0004 Å
b	12.8442 ± 0.0004 Å
c	14.2905 ± 0.0004 Å
α	65.951 ± 0.002°
β	86.995 ± 0.003°
γ	82.341 ± 0.003°
Cell volume	1957.64 ± 0.11 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0288
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178736 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47.	4084711.cif
126795	2014-11-11	cif/ Adding structures of 4084711 via cif-deposit CGI script.	4084711.cif