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Information card for entry 2012311
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Coordinates | 2012311.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn) toluene hemisolvate |
---|---|
Formula | C36.5 H26 Mn2 O8 P2 |
Calculated formula | C36.5 H24.5 Mn2 O8 P2 |
SMILES | c1ccc(C)cc1.C(#[O])[Mn]1(C#[O])(C#[O])(C#[O])[P](C[P](c2ccccc2)(c2ccccc2)[Mn]1(C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1 |
Title of publication | μ-Bis(diphenylphosphino)methane-<i>P</i>:<i>P</i>'-octacarbonyldimanganese(<i>Mn</i>‒<i>Mn</i>) and its toluene hemisolvate |
Authors of publication | Baxley, Gregory T.; Stiegman, Albert E.; Nieckarz, Gregory F.; Weakley, Timothy J. R.; Tyler, David R.; Gilbertson, John |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2001 |
Journal volume | 57 |
Journal issue | 11 |
Pages of publication | 1292 - 1294 |
a | 18.286 ± 0.002 Å |
b | 18.286 ± 0.002 Å |
c | 41.345 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13825 ± 3 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 K |
Number of distinct elements | 5 |
Space group number | 110 |
Hermann-Mauguin space group symbol | I 41 c d |
Hall space group symbol | I 4bw -2c |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for all reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.038 |
Goodness-of-fit parameter for all reflections | 1.32 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
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/2012311.html
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Users of the data should acknowledge the original authors of the
structural data.