Information card for entry 4301644

Structure parameters

• Formula: C27 H42 N4 O9 S6
• Calculated formula: C54 H90.35 N8 O18 S6
• Title of publication: Anion Binding by Protonated Forms of the Tripodal Ligand Tren
• Authors of publication: Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Andrea Danesi; Claudia Giorgi; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2391 - 2398
• a: 11.83 ± 0.001 Å
• b: 16.831 ± 0.002 Å
• c: 17.681 ± 0.002 Å
• α: 69.42 ± 0.01°
• β: 88.21 ± 0.01°
• γ: 86.425 ± 0.009°
• Cell volume: 3289.2 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1451
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2881
• Weighted residual factors for all reflections included in the refinement: 0.3025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.984
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No