Information card for entry 7057944

Structure parameters

• Formula: C37 H28 N2 O10 S2
• Calculated formula: C37 H26 N2 O10 S2
• Title of publication: Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives
• Authors of publication: Das, Debarati; Roy, Sandipan; Biradha, Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 24
• Pages of publication: 19953
• a: 7.8654 ± 0.0008 Å
• b: 9.5964 ± 0.0009 Å
• c: 22.652 ± 0.002 Å
• α: 92.607 ± 0.003°
• β: 97.703 ± 0.003°
• γ: 95.618 ± 0.003°
• Cell volume: 1683.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1337
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No