Crystallography Open Database

Information card for entry 4107225

Preview

Coordinates	4107225.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	YbCp3
Formula	C15 H15 Yb
Calculated formula	C15 H15 Yb
SMILES	[Yb]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]1[cH]9[cH]%10[cH]%11[cH]%121
Title of publication	Covalency in the 4f Shell oftris-Cyclopentadienyl Ytterbium (YbCp3)-A Spectroscopic Evaluation
Authors of publication	Robert G. Denning; Jeffrey Harmer; Jennifer C. Green; Mark Irwin
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20644 - 20660
a	7.9043 ± 0.0001 Å
b	8.2106 ± 0.0001 Å
c	17.9939 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1167.79 ± 0.02 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.02
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107225.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107225.cif
54877	2012-04-30	cif/ Adding structures of 4107225 via cif-deposit CGI script.	4107225.cif