Crystallography Open Database

Information card for entry 7113601

Preview

Coordinates	7113601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H100 Li N4 O4 Sm
Calculated formula	C76 H100 Li N4 O4 Sm
Title of publication	Lanthanide complexes derived from (R)-1,1'-binaphthyl-2,2'-bis(neopentylamine) ‒ {Li(THF)4}{Ln[(R)-C20H12N2(C10H22)]2} (Ln = Sm, Yb) ‒ novel catalysts for enantioselective intramolecular hydroamination
Authors of publication	Collin, Jacqueline; Daran, Jean-Claude; Schulz, Emmanuelle; Trifonov, Alexander
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	24
Pages of publication	3048 - 3049
a	11.1019 ± 0.0007 Å
b	25.0568 ± 0.0014 Å
c	25.2362 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	7020.2 ± 0.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103915
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210533 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7103914-7103915, 7113600-7113601. Marking entry 7113601 as a duplicate of entry 7103915.	7113601.cif
180250	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36.	7113601.cif
115154	2014-06-02	cif/ Adding structures of 7113600, 7113601 via cif-deposit CGI script.	7113601.cif