Crystallography Open Database

Information card for entry 4084712

Preview

Coordinates	4084712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H57 B2 N2 O Sm
Calculated formula	C33 H57 B2 N2 O Sm
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	30.579 ± 0.006 Å
b	10.445 ± 0.002 Å
c	23.642 ± 0.005 Å
α	90°
β	110.19 ± 0.03°
γ	90°
Cell volume	7087 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0287
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0476
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4084712.cif
126796	2014-11-11	cif/ Adding structures of 4084712 via cif-deposit CGI script.	4084712.cif