Information card for entry 2012310

Structure parameters

• Chemical name: μ-Bis(diphenylphosphino)methane-P:P'-octacarbonyldimanganese(Mn-Mn)
• Formula: C33 H22 Mn2 O8 P2
• Calculated formula: C33 H22 Mn2 O8 P2
• SMILES: [Mn]([P](c1ccccc1)(c1ccccc1)C[P](c1ccccc1)(c1ccccc1)[Mn](C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 12.6428 ± 0.0013 Å
• b: 15.351 ± 0.004 Å
• c: 17.868 ± 0.008 Å
• α: 111.91 ± 0.03°
• β: 94.05 ± 0.03°
• γ: 90.48 ± 0.02°
• Cell volume: 3207 ± 1.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.4
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No