Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4315177
Preview
| Coordinates | 4315177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H128 I2 N4 O4 Sm2 |
|---|---|
| Calculated formula | C88 H114 I2 N4 O4 Sm2 |
| SMILES | C12C(c3c4c1cccc4ccc3)=[N]([Sm]1([N]=2c2c(C(C)C)cccc2C(C)C)(OC(C)(C)C)([I][Sm]2([I]1)([N](=C1C(c3c4c1cccc4ccc3)=[N]2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(OC(C)(C)C)[O]1CCCC1)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C |
| Title of publication | One- and Two-Electron-Transfer Reactions of (dpp-Bian)Sm(dme)3 |
| Authors of publication | Igor L. Fedushkin; Olga V. Maslova; Markus Hummert; Herbert Schumann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 2901 - 2910 |
| a | 16.136 ± 0.005 Å |
| b | 16.036 ± 0.005 Å |
| c | 18.866 ± 0.005 Å |
| α | 90° |
| β | 109.302 ± 0.005° |
| γ | 90° |
| Cell volume | 4607 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0555 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.891 |
| Diffraction radiation wavelength | 0.71069 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. |
4315177.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315177.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315177.cif |
| 8320 | 2011-02-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4315177 via cif-deposit CGI script. |
4315177.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.