Crystallography Open Database

Information card for entry 4084714

Preview

Coordinates	4084714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H114 B4 N4 O2 Yb2
Calculated formula	C66 H110 B4 N4 O2 Yb2
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	30.4451 ± 0.0009 Å
b	10.4128 ± 0.0003 Å
c	23.6196 ± 0.0007 Å
α	90°
β	109.663 ± 0.002°
γ	90°
Cell volume	7051.2 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0684
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	0.894
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.	4084714.cif
126798	2014-11-11	cif/ Adding structures of 4084714 via cif-deposit CGI script.	4084714.cif