Information card for entry 2010784

Structure parameters

• Chemical name: 2,2'-bis(dimethylamino)-2,2'-bi(1,3,4,6,2-tetrathiaborapentalene-S-thione
• Formula: C10 H14 B2 N2 S10
• Calculated formula: C10 H14 B2 N2 S10
• SMILES: [B]1([B]2([NH](C)C)SC3=C(S2)SC(=S)S3)([NH](C)C)SC2=C(S1)SC(=S)S2
• Title of publication: Three sulfur-containing diborane(4) compounds
• Authors of publication: Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 440 - 444
• a: 9.578 ± 0.002 Å
• b: 9.686 ± 0.002 Å
• c: 12.172 ± 0.003 Å
• α: 95.56 ± 0.02°
• β: 91.99 ± 0.02°
• γ: 113.349 ± 0.012°
• Cell volume: 1028.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections: 0.965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No