Information card for entry 2213667

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaquabarium(II)]-di-μ-2,4,6-trinitrophenolato- κ^3^O,<i>O</i>':<i>O</i>'';κ^3^O:<i>O</i>',<i>O</i>''] benzimidazole disolvate]
• Formula: C26 H21 Ba N10 O17
• Calculated formula: C26 H21 Ba N10 O17
• Title of publication: <i>catena</i>-Poly[[[triaquabarium(II)]-di-μ-2,4,6-trinitrophenolato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'';κ^3^<i>O</i>,<i>O</i>':<i>O</i>''] benzimidazole disolvate]
• Authors of publication: De-Yun Ma; Guo-Hua Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1722 - m1723
• a: 30.4215 ± 0.0006 Å
• b: 6.7394 ± 0.0001 Å
• c: 16.6695 ± 0.0003 Å
• α: 90°
• β: 107.95 ± 0.001°
• γ: 90°
• Cell volume: 3251.28 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes