Information card for entry 7018954

Structure parameters

• Formula: C41 H40 Cl6 Co N8 O3 Pd3
• Calculated formula: C36 H24 Cl6 Co N8 Pd3
• SMILES: [Pd]12345[Pd]6([n]7c(c8[n]6c6n3c(c3[n]2cccc3)ccc6cc8)cccc7)([Pd]21([n]1c(c3[n]2c2n5c(c5[n]4cccc5)ccc2cc3)cccc1)Cl)Cl.[Co](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: A water soluble and air-stable tripalladium cluster
• Authors of publication: Yang, Fu-Ming; Chen, Po-Yuan; Lee, Chun-Chin; Liu, Yi-Hung; Peng, Shie-Ming; Chou, Pi-Tai; Liu, Shiuh-Tzung
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5782
• a: 19.4036 ± 0.0003 Å
• b: 18.7413 ± 0.0002 Å
• c: 23.7872 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8650.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No