Information card for entry 1568477

Structure parameters

• Formula: C17 H15 N5 Pd
• Calculated formula: C17 H15 N5 Pd
• Title of publication: Structure and bonding patterns in heterometallic organometallics with linear Ln–Pd–Ln motifs
• Authors of publication: Cemortan, Valeriu; Simler, Thomas; Moutet, Jules; Jaoul, Arnaud; Clavaguéra, Carine; Nocton, Grégory
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2676 - 2685
• a: 10.4114 ± 0.0014 Å
• b: 8.5418 ± 0.0011 Å
• c: 17.017 ± 0.002 Å
• α: 90°
• β: 92.924 ± 0.004°
• γ: 90°
• Cell volume: 1511.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No