Information card for entry 1568482

Structure parameters

• Formula: C64 H84 N2 Pd Sm2
• Calculated formula: C64 H84 N2 Pd Sm2
• SMILES: c12cccc[n]1[Sm]13456789([c]%10([c]1([c]3([c]4([c]5%10C)C)C)C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[Pd]12c2cccc[n]2[Sm]234567891([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.Cc1ccccc1.Cc1ccccc1
• 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: 15.7006 ± 0.0011 Å
• b: 13.8198 ± 0.0008 Å
• c: 26.6978 ± 0.0017 Å
• α: 90°
• β: 91.602 ± 0.003°
• γ: 90°
• Cell volume: 5790.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No