Crystallography Open Database

Information card for entry 4314928

Preview

Coordinates	4314928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H144 La2 N8 O2 Si2 U
Calculated formula	C112 H144 La2 N8 O2 Si2 U
SMILES	[U]12345678(N=C(Cc9ccccc9)c9cc%10[n]%11[La]%12%13%14%15%16%17%18%19([n]%20ccccc%10%20)([n]%10c(c%11c9)cccc%10)([cH]9[c]%12([c]%13([c]%14([c]%159C)C)C)C)[cH]9[c]%16([c]%17([c]%19([c]%189C)C)C)C)(N=C(Cc9ccccc9)c9cc%10[n]%11[La]%12%13%14%15%16%17%18%19([n]%20ccccc%10%20)([n]%10c(c%11c9)cccc%10)([cH]9[c]%12([c]%19([c]%13([c]%149C)C)C)C)[cH]9[c]%15([c]%16([c]%17([c]%189C)C)C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[Si](O[Si](C)(C)C)(C)(C)C.O(CC)CC
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	13.4288 ± 0.0014 Å
b	18.774 ± 0.002 Å
c	21.335 ± 0.002 Å
α	79.831 ± 0.001°
β	87.5 ± 0.002°
γ	75.225 ± 0.002°
Cell volume	5119.3 ± 0.9 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1517
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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.	4314928.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314928.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314928.cif
8071	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314928 via cif-deposit CGI script.	4314928.cif