Information card for entry 4120245

Structure parameters

• Formula: C36 H58 Cl Mn P4 Sn
• Calculated formula: C36 H58 Cl Mn P4 Sn
• SMILES: c1(c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Sn](Cl)[MnH]12([P](CC[P]1(C)C)(C)C)[P](CC[P]2(C)C)(C)C
• Title of publication: Manganese-Tin Triple Bonds: A New Synthetic Route to the Manganese Stannylidyne Complex Cation trans-[H(dmpe)2Mn\τbSn(C6H3-2,6-Mes2)]+ (dmpe = Me2PCH2CH2PMe2, Mes = 2,4,6-Trimethylphenyl)
• Authors of publication: Alexander C. Filippou; Priyabrata Ghana; Uttam Chakraborty; Gregor Schnakenburg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11525 - 11528
• a: 10.3998 ± 0.0006 Å
• b: 17.909 ± 0.0009 Å
• c: 20.9073 ± 0.0012 Å
• α: 90°
• β: 90.258 ± 0.002°
• γ: 90°
• Cell volume: 3893.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0335
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No