Information card for entry 2012311

Structure parameters

• 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 ų
• 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