Crystallography Open Database

Information card for entry 4080486

Preview

Coordinates	4080486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 B N5 Y
Calculated formula	C38 H45 B N5 Y
Title of publication	Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies
Authors of publication	Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1517
a	11.7059 ± 0.0004 Å
b	22.5039 ± 0.0006 Å
c	13.387 ± 0.0004 Å
α	90°
β	104.14 ± 0.001°
γ	90°
Cell volume	3419.67 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0753
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
178693 (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 4/08/04.	4080486.cif
85939	2013-05-07	cif/ Adding structures of 4080484, 4080485, 4080486, 4080487, 4080488 via cif-deposit CGI script.	4080486.cif