Information card for entry 4515118

Structure parameters

• Formula: C36 H44 F12 N12 P2 Pd
• Calculated formula: C36 H44 F12 N12 P2 Pd
• SMILES: C1N2CCCc3c(n(n[n+]3C)c3ccccc3)[Pd]3(=C2N(C)C=1)=C1N(C)C=CN1CCCc1c3n(n[n+]1C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Structural and Luminescent Properties of Homoleptic Silver(I), Gold(I), and Palladium(II) Complexes with <i>n</i>NHC-<i>tz</i>NHC Heteroditopic Carbene Ligands.
• Authors of publication: Monticelli, Marco; Baron, Marco; Tubaro, Cristina; Bellemin-Laponnaz, Stéphane; Graiff, Claudia; Bottaro, Gregorio; Armelao, Lidia; Orian, Laura
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 4192 - 4205
• a: 11.917 ± 0.003 Å
• b: 12.117 ± 0.003 Å
• c: 15.264 ± 0.004 Å
• α: 90°
• β: 97.907 ± 0.005°
• γ: 90°
• Cell volume: 2183.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1814
• 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