Information card for entry 4338467

Structure parameters

• Common name: [Mn(phen)2]2Sn2S6
• Chemical name: [Mn(C12H8N2)2]2Sn2S6
• Formula: C48 H32 Mn2 N8 S6 Sn2
• Calculated formula: C48 H32 Mn2 N8 S6 Sn2
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Mn]124(S[Sn]3(S1)S[Sn]1(S[Mn]45([n]6cccc7ccc8ccc[n]4c8c67)(S1)[n]1cccc4ccc6ccc[n]5c6c14)S3)[n]1cccc3c1c1c(ccc[n]21)cc3
• Title of publication: Influence of the Synthesis Parameters onto Nucleation and Crystallization of Five New Tin-Sulfur Containing Compounds.
• Authors of publication: Hilbert, Jessica; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5619 - 5630
• a: 10.823 ± 0.0004 Å
• b: 9.894 ± 0.0002 Å
• c: 24.8107 ± 0.001 Å
• α: 90°
• β: 91.356 ± 0.003°
• γ: 90°
• Cell volume: 2656.05 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No