Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064476
Preview
| Coordinates | 4064476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H43 Cl P2 Ru Zr |
|---|---|
| Calculated formula | C28 H43 Cl P2 Ru Zr |
| SMILES | [Ru]123456([Zr]789%10%11%12%13%14(Cl)([c]%15([P]1(CC)CC)[cH]7[cH]8[cH]9[cH]%10%15)[c]1([P]2(CC)CC)[cH]%11[cH]%12[cH]%13[cH]%141)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
| Title of publication | Synthesis of Group IV (Zr, Hf)−Group VIII (Fe, Ru) Heterobimetallic Complexes Bearing Metallocenyl Diphosphine Moieties and Their Application to Catalytic Dehydrogenation of Amine−Boranes |
| Authors of publication | Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 8 |
| Pages of publication | 2394 |
| a | 10.1027 ± 0.0006 Å |
| b | 18.193 ± 0.001 Å |
| c | 15.3519 ± 0.0009 Å |
| α | 90° |
| β | 91.2069 ± 0.0019° |
| γ | 90° |
| Cell volume | 2821 ± 0.3 Å3 |
| Cell temperature | 173.1 K |
| Ambient diffraction temperature | 173.1 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 significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.1632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71075 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. |
4064476.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064476.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064476.cif |
| 32920 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064473, 4064474, 4064475, 4064476, 4064477, 4064478, 4064479, 4064480, 4064481, 4064482, 4064483, 4064484 via cif-deposit CGI script. |
4064476.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.