Information card for entry 2011740

Structure parameters

• Common name: Thiophenolate sodium tetramethylethylenediamine
• Formula: C12 H21 N2 Na S
• Calculated formula: C12 H21 N2 Na S
• SMILES: [S-]c1ccccc1.[Na]1[N](C)(C)CC[N]1(C)C
• Title of publication: Sodium thiophenolate <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine
• Authors of publication: Heigel, Erik; Bock, Hans; Krenzel, Volker; Sievert, Mark
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 154 - 155
• a: 5.944 ± 0.001 Å
• b: 11.2 ± 0.002 Å
• c: 11.899 ± 0.002 Å
• α: 62.58 ± 0.01°
• β: 87.14 ± 0.02°
• γ: 81.32 ± 0.02°
• Cell volume: 694.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0422
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes