Information card for entry 8104707

Structure parameters

• Formula: C42 H38 N4 O7
• Calculated formula: C42 H38 N4 O7
• Title of publication: Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O
• Authors of publication: Shi, Qing; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 773 - 775
• a: 11.8563 ± 0.0006 Å
• b: 12.6263 ± 0.0006 Å
• c: 13.4492 ± 0.0006 Å
• α: 113.563 ± 0.002°
• β: 96.74 ± 0.002°
• γ: 104.429 ± 0.002°
• Cell volume: 1733.07 ± 0.15 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 301.72 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: 0.047
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No