Crystallography Open Database

Information card for entry 4084715

Preview

Coordinates	4084715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H61 B Eu N2 O2
Calculated formula	C37 H61 B Eu 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	8.8497 ± 0.0004 Å
b	12.4662 ± 0.0006 Å
c	17.8524 ± 0.0009 Å
α	76.231 ± 0.004°
β	84.663 ± 0.004°
γ	85.552 ± 0.004°
Cell volume	1901.49 ± 0.16 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	0.0731
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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.	4084715.cif
126799	2014-11-11	cif/ Adding structures of 4084715 via cif-deposit CGI script.	4084715.cif