Crystallography Open Database

Information card for entry 4084838

Preview

Coordinates	4084838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H41.56 N2 Yb
Calculated formula	C34 H41.558 N2 Yb
Title of publication	Carbon‒Hydrogen Bond Breaking and Making in the Open-Shell Singlet Molecule Cp*2Yb(4,7-Me2phen)
Authors of publication	Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Ricard, Louis; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6819
a	10.682 ± 0.002 Å
b	16.132 ± 0.003 Å
c	20.46 ± 0.004 Å
α	90°
β	95.181 ± 0.003°
γ	90°
Cell volume	3511.3 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0392
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178737 (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 4/08/48.	4084838.cif
131494	2015-02-08	cif/ Updating files of 4084836, 4084837, 4084838 Original log message: Adding full bibliography for 4084836--4084838.cif.	4084838.cif
127756	2014-11-21	cif/ Adding structures of 4084836, 4084837, 4084838 via cif-deposit CGI script.	4084838.cif