Information card for entry 1568478

Structure parameters

• Formula: C98 H138 N10 O6 Pd2 Yb2
• Calculated formula: C82 H106 N10 O2 Pd2 Yb2
• SMILES: [Yb]123456789([N]%10=C%11c%12[n]([Pd](N%11[C@H](C=C%10)[C@@H]%10N%11[Pd]([n]%13c%14C%11=[N]([Yb]%11%15%16%17%18%19%20%21(n%14c%14c%13cccc%14)([c]%13([c]%11([c]%15([c]%16([c]%17%13C)C)C)C)C)[c]%11([c]%18([c]%19([c]%20([c]%21%11C)C)C)C)C)C=C%10)([n]%10ccccc%10)C)([n]%10ccccc%10)C)c%10c(n1%12)cccc%10)([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.O1CCCC1.O1CCCC1.[Yb]123456789([N]%10=C%11c%12[n]([Pd](N%11[C@@H](C=C%10)[C@H]%10N%11[Pd]([n]%13c%14C%11=[N]([Yb]%11%15%16%17%18%19%20%21(n%14c%14c%13cccc%14)([c]%13([c]%11([c]%15([c]%16([c]%17%13C)C)C)C)C)[c]%11([c]%18([c]%19([c]%20([c]%21%11C)C)C)C)C)C=C%10)([n]%10ccccc%10)C)([n]%10ccccc%10)C)c%10c(n1%12)cccc%10)([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.O1CCCC1.O1CCCC1
• 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: 14.758 ± 0.004 Å
• b: 17.469 ± 0.005 Å
• c: 20.212 ± 0.006 Å
• α: 101.902 ± 0.007°
• β: 102.431 ± 0.007°
• γ: 113.691 ± 0.007°
• Cell volume: 4403 ± 2 ų
• Cell temperature: 149.99 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No