Information card for entry 4333165

Structure parameters

• Formula: C6 H4 B N6 Na S6
• Calculated formula: C6 H4 B N6 Na S6
• SMILES: [Na+].[BH](N1C(=S)SC=N1)(N1C(=S)SC=N1)N1C(=S)SC=N1
• Title of publication: Janus Scorpionates: Supramolecular Tectons for the Directed Assembly of Hard−Soft Alkali Metallopolymer Chains
• Authors of publication: Silva, Rosalice M.; Gwengo, Chengeto; Lindeman, Sergey V.; Smith, Mark D.; Gardinier, James R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10998 - 11007
• a: 13.65 ± 0.0006 Å
• b: 13.65 ± 0.0006 Å
• c: 13.6565 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2203.6 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No