Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064629
Preview
Coordinates | 4064629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H46 Mo O P2 |
---|---|
Calculated formula | C46 H46 Mo O P2 |
SMILES | C(#Cc1ccc(C)cc1)[Mo]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)(C#[O])[P](c1ccccc1)(c1ccccc1)CC[P]5(c1ccccc1)c1ccccc1 |
Title of publication | Synthesis, Redox Chemistry, and Electronic Structure of the Alkynyl Cyclopentadienyl Molybdenum Complexes [Mo(C\τb CR)(CO)(L2)Cp′]n+(n= 0 or 1; R = Ph or C6H4-4-Me, L2= Ph2PCH2CH2PPh2or 2PMe3, Cp′ = Cp or Cp*) |
Authors of publication | Roberts (née Lancashire), Hannah N.; Brown, Neil J.; Edge, Ruth; Lewin, Ross; Collison, David; Low, Paul J.; Whiteley, Mark W. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 14 |
Pages of publication | 3763 |
a | 17.151 ± 0.005 Å |
b | 12.436 ± 0.005 Å |
c | 18.564 ± 0.005 Å |
α | 90 ± 0.005° |
β | 108.536 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3754 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1024 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.0834 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
Diffraction radiation wavelength | 0.71069 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/4064629.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.