Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073041
Preview
| Coordinates | 4073041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 Ru3 Zn2 |
|---|---|
| Calculated formula | C32 H51 Ru3 Zn2 |
| SMILES | [c]12([c]3([c]4([c]5(C)[Ru]678134([Zn]1(C)[Ru]349%10%116([c]6([c]9([c]3([c]4(C)[c]%106C)C)C)C)[Ru]346971([c]1([c]6([c]3([c]4(C)[c]91C)C)C)C)[Zn]8%11C)[c]25C)C)C)C |
| Title of publication | Ruthenium Polyhydrido Clusters Having a Bridging Alkylzinc Group, [(η5-C5Me5)Ru(μ-H)]3(μ3-ZnR)n(μ3-H)2-nand [(η5-C5Me5)Ru]2(μ-ZnR)n(μ-H)4-n(R = Me and Et;n= 1 and 2) |
| Authors of publication | Ohashi, Masato; Matsubara, Kouki; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 9 |
| Pages of publication | 2330 |
| a | 11.279 ± 0.003 Å |
| b | 11.279 ± 0.003 Å |
| c | 16.137 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1777.8 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30. |
4073041.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073041.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073041.cif |
| 46132 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073040, 4073041 via cif-deposit CGI script. |
4073041.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.