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Information card for entry 4325116
Preview
| Coordinates | 4325116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H115 Cl0.76 Co Hf I0.24 N5 Na O5 P3 |
|---|---|
| Calculated formula | C65 H115 Cl0.756 Co Hf I0.244 N5 Na O5 P3 |
| SMILES | C(C)(C)[P]1(C(C)C)N(c2c(cc(cc2C)C)C)[Hf]2(N([P](C(C)C)(C(C)C)[Co]1([P](C(C)C)(C(C)C)N2c1c(C)cc(C)cc1C)[N]#N)c1c(cc(cc1C)C)C)Cl.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt |
| Authors of publication | Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4647 - 4655 |
| a | 14.6354 ± 0.0004 Å |
| b | 24.6754 ± 0.0007 Å |
| c | 19.2156 ± 0.0006 Å |
| α | 90° |
| β | 90.2243 ± 0.0016° |
| γ | 90° |
| Cell volume | 6939.4 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 10 |
| 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
4325116.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325116.cif |
| 43568 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325116 via cif-deposit CGI script. |
4325116.cif |
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Users of the data should acknowledge the original authors of the
structural data.