Crystallography Open Database

Information card for entry 4118896

Preview

Coordinates	4118896.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(C5Me5)2Tb(allyl)
Formula	C23 H35 Tb
Calculated formula	C23 H35 Tb
SMILES	[Tb]123456789%10([c]%11([c]1([c]2([c]4([c]3%11C)C)C)C)C)([c]1([c]7([c]6([c]5([c]81C)C)C)C)C)[CH2]=[CH]%10C9
Title of publication	Exchange Coupling and Magnetic Blocking in Bipyrimidyl Radical-Bridged Dilanthanide Complexes
Authors of publication	Selvan Demir; Joseph M. Zadrozny; Michael Nippe; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	18546 - 18549
a	22.7164 ± 0.0006 Å
b	22.7164 ± 0.0006 Å
c	8.3647 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4316.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	0.705
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
178959 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/88.	4118896.cif
76462	2013-03-19	cif/ Adding structures of 4118896 via cif-deposit CGI script.	4118896.cif