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Information card for entry 4325444
Preview
Coordinates | 4325444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H27 Cu O7 S4 n3 |
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Calculated formula | C20 H27 Cu N3 O7 S4 |
Title of publication | Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle |
Authors of publication | Eunji Lee; Shim Sung Lee |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5803 - 5807 |
a | 8.5234 ± 0.0004 Å |
b | 10.5146 ± 0.0006 Å |
c | 15.8863 ± 0.0012 Å |
α | 96.754 ± 0.004° |
β | 102.105 ± 0.004° |
γ | 113.81 ± 0.002° |
Cell volume | 1240.61 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4325444.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325444.cif |
44514 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325444 via cif-deposit CGI script. |
4325444.cif |
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Users of the data should acknowledge the original authors of the
structural data.