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Information card for entry 4071249
Preview
Coordinates | 4071249.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H27 Mn O2 S |
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Calculated formula | C31 H27 Mn O2 S |
SMILES | C([Mn]12345(C#[O])([C](=[C]1=Cc1ccccc1)(c1ccc(cc1)C)Sc1ccc(cc1)C)[c]1([cH]5[cH]4[cH]3[cH]21)C)#[O] |
Title of publication | Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles |
Authors of publication | Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 9 |
Pages of publication | 2078 |
a | 9.923 ± 0.003 Å |
b | 21.7612 ± 0.0017 Å |
c | 12.017 ± 0.005 Å |
α | 90° |
β | 104.77 ± 0.05° |
γ | 90° |
Cell volume | 2509.2 ± 1.4 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0781 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1048 |
Weighted residual factors for all reflections included in the refinement | 0.1269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
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/4071249.html
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