Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075582
Preview
Coordinates | 4075582.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H43 Mo2 N3 O S2 |
---|---|
Calculated formula | C35 H43 Mo2 N3 O S2 |
SMILES | c1(c(cccc1C)C)N1[C]2=[Mo]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[O]=C([Mo]3456=27([c]2(C\1=N/c1c(cccc1C)C)[cH]3[cH]4[cH]5[cH]62)([S]8C)[S]9C)NC(C)(C)C |
Title of publication | Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes |
Authors of publication | Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 4009 |
a | 9.9768 ± 0.0009 Å |
b | 13.286 ± 0.0016 Å |
c | 13.9137 ± 0.0018 Å |
α | 77.796 ± 0.011° |
β | 86.048 ± 0.009° |
γ | 68.941 ± 0.01° |
Cell volume | 1682.2 ± 0.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0894 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.0875 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
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/4075582.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.