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Information card for entry 4314928
Preview
Coordinates | 4314928.cif |
---|---|
Original paper (by DOI) | HTML |
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 Fobs | No |
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 |
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Users of the data should acknowledge the original authors of the
structural data.