Crystallography Open Database

Information card for entry 4121976

4121975 << 4121976 >> 4121977

Preview

Coordinates	4121976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 N2 Yb
Calculated formula	C34 H42 N2 Yb
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	9.7032 ± 0.0013 Å
b	31.081 ± 0.004 Å
c	28.751 ± 0.004 Å
α	90°
β	99.71°
γ	90°
Cell volume	8547 ± 2 Å³
Cell temperature	137 ± 2 K
Ambient diffraction temperature	137 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	4121976.cif
119145	2014-07-05	cif/ Updating files of 4121972, 4121973, 4121974, 4121975, 4121976 Original log message: Adding full bibliography for 4121972--4121976.cif.	4121976.cif
116330	2014-06-10	cif/ Adding structures of 4121972, 4121973, 4121974, 4121975, 4121976 via cif-deposit CGI script.	4121976.cif