Crystallography Open Database

Information card for entry 4314926

Preview

Coordinates	4314926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131 H156 N8 U Yb2
Calculated formula	C110 H132 N8 U Yb2
SMILES	[U]12345678(N=C(Cc9ccccc9)c9cc%10[n]%11[Yb]%12%13%14%15%16%17%18%19([n]%20c%10cccc%20)([n]%10c(c%11c9)cccc%10)([c]9([c]%12([c]%13([c]%14([c]%159C)C)C)CC)C)[c]9([c]%16([c]%19([c]%17([c]%189CC)C)C)C)C)(N=C(Cc9ccccc9)c9cc%10[n]%11[Yb]%12%13%14%15%16%17%18%19([n]%20c%10cccc%20)([n]%10c(c%11c9)cccc%10)([c]9([c]%15([c]%14([c]%13([c]%129C)C)CC)C)C)[c]9([c]%18([c]%19([c]%17([c]%169C)C)C)C)CC)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Comparative Study of f-Element Electronic Structure across a Series of Multimetallic Actinide and Lanthanoid-Actinide Complexes Possessing Redox-Active Bridging Ligands
Authors of publication	Eric J. Schelter; Ruilian Wu; Jacqueline M. Veauthier; Eric D. Bauer; Corwin H. Booth; Robert K. Thomson; Christopher R. Graves; Kevin D. John; Brian L. Scott; Joe D. Thompson; David E. Morris; Jaqueline L. Kiplinger
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1995 - 2007
a	13.3201 ± 0.0013 Å
b	17.9749 ± 0.0018 Å
c	24.197 ± 0.002 Å
α	104.71 ± 0.002°
β	92.122 ± 0.002°
γ	90.266 ± 0.002°
Cell volume	5599.1 ± 0.9 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314926.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314926.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314926.cif
8069	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314926 via cif-deposit CGI script.	4314926.cif