Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037128
Preview
Coordinates | 7037128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 Fe3 Mo O3 P3 |
---|---|
Calculated formula | C33 H33 Fe3 Mo O3 P3 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)[PH2][Mo]([PH2][c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)([PH2][c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(C#[O])(C#[O])C#[O] |
Title of publication | Hydrophosphination reactions with transition metal ferrocenylphosphine complexes. |
Authors of publication | Pritzwald-Stegmann, Julian Rodger Frederic; Lönnecke, Peter; Hey-Hawkins, Evamarie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2208 - 2217 |
a | 19.6082 ± 0.0004 Å |
b | 19.6082 ± 0.0004 Å |
c | 6.9759 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2322.77 ± 0.12 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.027 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7037128.html
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.