Information card for entry 4346229

Structure parameters

• Formula: C29 H50 Cl2 Mn4 N8 Te4
• Calculated formula: C29 H50 Cl2 Mn4 N8 Te4
• SMILES: [Te]12[Mn]3(=C4N(C)C(C)=C(C)N4C)[Te]4[Mn]5(=C6N(C)C(C)=C(C)N6C)[Te]([Mn]14=C1N(C)C(C)=C(C)N1C)[Mn]2([Te]35)=C1N(C)C(C)=C(C)N1C.C(Cl)Cl
• Title of publication: Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.
• Authors of publication: Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8348 - 8355
• a: 9.5916 ± 0.0004 Å
• b: 19.4968 ± 0.0015 Å
• c: 23.8118 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4452.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No