Information card for entry 4080810

Structure parameters

• Chemical name: tricarbonyl-N,N,N-tris[2-(dimethylstibanyl)benzyl]azane-manganese(I) trifluoromethanesulfonate chloroform solvate toluene solvate
• Formula: C39 H45 Cl3 F3 Mn N O6 S Sb3
• Calculated formula: C39 H45 Cl3 F3 Mn N O6 S Sb3
• SMILES: [Sb]1([Mn]2([Sb](C)(C)c3ccccc3CN(Cc3c1cccc3)Cc1c([Sb]2(C)C)cccc1)(C#[O])(C#[O])C#[O])(C)C.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl.c1(ccccc1)C
• Title of publication: Synthesis and Reactions of a Hybrid Tristibine Ligand
• Authors of publication: Benjamin, Sophie L.; Levason, William; Reid, Gillian
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2760
• a: 16.758 ± 0.004 Å
• b: 14.392 ± 0.003 Å
• c: 19.233 ± 0.007 Å
• α: 90°
• β: 93.825 ± 0.007°
• γ: 90°
• Cell volume: 4628 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No