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Information card for entry 4325115
Preview
| Coordinates | 4325115.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6 |
|---|---|
| Calculated formula | C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6 |
| SMILES | C(C)(C)N1[P](c2ccccc2)(c2ccccc2)[Co]2([P](N(C(C)C)[Hf]1(N([P]2(c1ccccc1)c1ccccc1)C(C)C)Cl)(c1ccccc1)c1ccccc1)[N]#[N][Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[N]#[N][Co]([P](c1ccccc1)(N1C(C)C)c2ccccc2)([P](c2ccccc2)(c2ccccc2)N2C(C)C)[P](c3ccccc3)(c3ccccc3)N(C(C)C)[Hf]12Cl.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1 |
| 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 | 12.7902 ± 0.0008 Å |
| b | 13.8837 ± 0.0008 Å |
| c | 22.7745 ± 0.0014 Å |
| α | 99.384 ± 0.003° |
| β | 102.512 ± 0.003° |
| γ | 100.827 ± 0.003° |
| Cell volume | 3789.3 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for all reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4325115.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325115.cif |
| 89308 | 2013-10-20 | smi/4 Adding SMILES of phosphane complexes |
4325115.cif |
| 43567 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325115 via cif-deposit CGI script. |
4325115.cif |
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