Information card for entry 7054274

Structure parameters

• Formula: C50 H40 Mn2 N14 O5
• Calculated formula: C50 H40 Mn2 N14 O5
• Title of publication: 2-(2-Pyridyl) benzimidazole-based ternary Mn(ii) complex as an arsenate selective turn-on fluorescence probe: ppb level determination and cell imaging studies
• Authors of publication: Das, Sudipta; Banerjee, Arnab; Lohar, Sisir; Sarkar, Bidisha; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Sahana, Animesh; Das, Debasis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 7
• Pages of publication: 2744
• a: 12.1441 ± 0.0007 Å
• b: 13.9323 ± 0.0008 Å
• c: 14.4271 ± 0.0008 Å
• α: 90°
• β: 113.548 ± 0.003°
• γ: 90°
• Cell volume: 2237.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No