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Information card for entry 4315178
Preview
| Coordinates | 4315178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H47 Cl3 N4 O2 Sn |
|---|---|
| Calculated formula | C38 H46 Cl6 N4 O2 Sn |
| SMILES | c12C=Cc3n4c(c(c3CC)CC)c3[n]5[Sn]64([n]2c(c(c1CC)CC)c1c(c(c(C=Cc5c(c3CC)CC)n61)CC)CC)([OH2])[OH2].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Synthesis of a Novel Sn(IV) Porphycene-Ferrocene Triad Linked by Axial Coordination and Solvent Polarity Effect in Photoinduced Charge Separation Process |
| Authors of publication | Daisuke Maeda; Hisashi Shimakoshi; Masaaki Abe; Mamoru Fujitsuka; Testuro Majima; Yoshio Hisaeda |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 2872 - 2880 |
| a | 8.8308 ± 0.0014 Å |
| b | 26.249 ± 0.004 Å |
| c | 9.3713 ± 0.0014 Å |
| α | 90° |
| β | 109.558 ± 0.003° |
| γ | 90° |
| Cell volume | 2046.9 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0502 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179231 (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 4/31/51. |
4315178.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315178.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315178.cif |
| 8321 | 2011-02-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4315178 via cif-deposit CGI script. |
4315178.cif |
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