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Information card for entry 4064400
Preview
Coordinates | 4064400.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Mn O2 P |
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Calculated formula | C24 H24 Mn O2 P |
SMILES | C(#[O])[Mn]123456(C(=O)C1(c1ccccc1)[P]6(c1c(cc(cc1C)C)C)C)[cH]1[cH]5[cH]4[cH]3[cH]21 |
Title of publication | Synthesis of η1-α-Phosphinocarbene Complexes of Manganese and Mechanistic Insight into Their Base-Induced Transformations |
Authors of publication | Valyaev, Dmitry A.; Lugan, Noël; Lavigne, Guy; Ustynyuk, Nikolai A. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 8 |
Pages of publication | 2318 |
a | 32.4515 ± 0.0005 Å |
b | 7.56209 ± 0.0001 Å |
c | 8.37152 ± 0.00011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2054.38 ± 0.05 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0642 |
Residual factor for significantly intense reflections | 0.0641 |
Weighted residual factors for significantly intense reflections | 0.1169 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.493 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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