Information card for entry 8104652

Structure parameters

• Formula: C25 H34 N8 O7
• Calculated formula: C25 H34 N8 O7
• Title of publication: Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C25H24N8O2·5H2O
• Authors of publication: Zhou, Yi; Zhang, Min; Xiong, Ying
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1011 - 1013
• a: 7.507 ± 0.002 Å
• b: 8.0276 ± 0.0018 Å
• c: 23.653 ± 0.006 Å
• α: 93.062 ± 0.008°
• β: 97.015 ± 0.009°
• γ: 99.478 ± 0.008°
• Cell volume: 1391.5 ± 0.6 ų
• Cell temperature: 273 ± 2 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: 0.0587
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No