Information card for entry 8104720

Structure parameters

• Formula: C26 H30 N8 O4
• Calculated formula: C26 H30 N8 O4
• Title of publication: Crystal structure of N′, N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis (methaneylylidene))di(picolinohydrazide) – water – methanol (1/1/1), C25H24N8O2·H2O·CH3OH
• Authors of publication: Xiong, Ying; An, Ya
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 811 - 813
• a: 8.0277 ± 0.0006 Å
• b: 11.146 ± 0.001 Å
• c: 15.8921 ± 0.0013 Å
• α: 99.439 ± 0.003°
• β: 102.525 ± 0.003°
• γ: 95.309 ± 0.003°
• Cell volume: 1357.2 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No