Information card for entry 4346228

Structure parameters

• Formula: C79 H140 Mn4 P4 Te4
• Calculated formula: C79 H140 Mn4 P4 Te4
• SMILES: [Te]12[Mn]3456([Te]7[Mn]89%104([Te]4[Mn]1579([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[Mn]26%104([Te]38)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.Cc1ccccc1
• 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: 14.2055 ± 0.0004 Å
• b: 15.2008 ± 0.0006 Å
• c: 20.8007 ± 0.0006 Å
• α: 83.467 ± 0.003°
• β: 84.482 ± 0.002°
• γ: 76.4 ± 0.003°
• Cell volume: 4326.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0633
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No