Crystallography Open Database

Information card for entry 4118895

Preview

Coordinates	4118895.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(C5Me5)2Dy(BPh4)*C7H8
Formula	C51 H58 B Dy
Calculated formula	C51 H58 B Dy
SMILES	[Dy]123456789([CH]%10=CC=CC=C%10[B](C%10=[CH]1C=CC=C%10)(c1ccccc1)c1ccccc1)([c]1([c]3(C)[c]7([c]8([c]41C)C)C)C)[c]1([c]2(C)[c]9([c]5([c]61C)C)C)C.c1ccccc1C
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	11.1325 ± 0.0004 Å
b	28.0382 ± 0.0008 Å
c	13.2787 ± 0.0005 Å
α	90°
β	98.017 ± 0.001°
γ	90°
Cell volume	4104.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.016
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0369
Weighted residual factors for all reflections included in the refinement	0.037
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4118895.cif
76461	2013-03-19	cif/ Adding structures of 4118895 via cif-deposit CGI script.	4118895.cif