Crystallography Open Database

Information card for entry 4121973

4121972 << 4121973 >> 4121974

Preview

Coordinates	4121973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H76 N4 Yb2
Calculated formula	C64 H76 N4 Yb2
Title of publication	Reversible Sigma C-C Bond Formation Between Phenanthroline Ligands Activated by (C5Me5)2Yb.
Authors of publication	Nocton, Grégory; Lukens, Wayne W.; Booth, Corwin H.; Rozenel, Sergio S.; Medling, Scott A.; Maron, Laurent; Andersen, Richard A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	24
Pages of publication	8626 - 8641
a	17.9675 ± 0.0015 Å
b	17.8594 ± 0.0015 Å
c	16.2715 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5221.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179021 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19.	4121973.cif
119145	2014-07-05	cif/ Updating files of 4121972, 4121973, 4121974, 4121975, 4121976 Original log message: Adding full bibliography for 4121972--4121976.cif.	4121973.cif
116330	2014-06-10	cif/ Adding structures of 4121972, 4121973, 4121974, 4121975, 4121976 via cif-deposit CGI script.	4121973.cif