Information card for entry 7235346

Structure parameters

• Formula: C16 H16 N4 O2
• Calculated formula: C16 H16 N4 O2
• Title of publication: Palladium(ii) induced complete conformational enrichment of the syn isomer of N,N′-bis(4-pyridylformyl)piperazine
• Authors of publication: Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip Kumar
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 36
• Pages of publication: 18595
• a: 9.1945 ± 0.0006 Å
• b: 8.2633 ± 0.0005 Å
• c: 9.9539 ± 0.0006 Å
• α: 90°
• β: 107.528 ± 0.002°
• γ: 90°
• Cell volume: 721.15 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No