Information card for entry 4503772

Structure parameters

• Chemical name: 2,2'-Bipyridyl-3,3'-bis(N,N'-disalicylidene)-formyhydrazone monohydrate
• Formula: C26 H22 N6 O5
• Calculated formula: C26 H22 N6 O5
• SMILES: O=C(N/N=C/c1c(O)cccc1)c1c(nccc1)c1ncccc1C(=O)N/N=C/c1ccccc1O.O
• Title of publication: Molecule Cleft and Squares with Binicotinic Bishydrazone Ligand: Crystal Structures, Spectroscopic Properties, and Calculation
• Authors of publication: Wu, Benlai; Liu, Caiping; Yuan, Daqiang; Jiang, Feilong; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3791
• a: 7.317 ± 0.002 Å
• b: 10.273 ± 0.003 Å
• c: 15.74 ± 0.004 Å
• α: 98.569 ± 0.005°
• β: 90.687 ± 0.005°
• γ: 93.486 ± 0.005°
• Cell volume: 1167.5 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0516
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No