Information card for entry 4076157

Structure parameters

• Formula: C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4
• Calculated formula: C102 H78 Cl18 Co4 F12 N4 O24 P4 Pd2 S4
• SMILES: c1[n]2ccc(c1)[C]13=[C]4(c5cc[n](cc5)[Pd]5([n]6ccc(cc6)[C]67=[C]8(c9cc[n]([Pd]%102[P](c2ccccc2)(c2ccccc2)CCCC[P]%10(c2ccccc2)c2ccccc2)cc9)[Co]6(C#[O])(C#[O])(C#[O])[Co]78(C#[O])(C#[O])C#[O])[P](c2ccccc2)(c2ccccc2)CCCC[P]5(c2ccccc2)c2ccccc2)[Co]1(C#[O])(C#[O])(C#[O])[Co]34(C#[O])(C#[O])C#[O].FC(F)(F)S(=O)(=O)[O-].FC(F)(S(=O)(=O)[O-])F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Self-Assembly of Cationic Pd(II)/Pt(II) Metallomacrocycles Containing Tetrahedral C2Co2Clusters from Rigid Cluster-Bridged Bipyridine (4-C5H4N)2C2Co2(CO)6and Diphosphine- or Diarsine-Chelated Pd(II)/Pt(II) Complexes [M(dppb)(H2O)2][OTf]2(M = Pd, Pt), [Pd(dpab)(H2O)(OTf)][OTf], and [Pt(dpab)(H2O)2][OTf]2
• Authors of publication: Song, Li-Cheng; Jin, Guo-Xia; Wang, Hu-Ting; Zhang, Wen-Xiong; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 26
• Pages of publication: 6464
• a: 13.871 ± 0.005 Å
• b: 16.717 ± 0.006 Å
• c: 18.592 ± 0.006 Å
• α: 113.802 ± 0.005°
• β: 102.796 ± 0.006°
• γ: 96.69 ± 0.006°
• Cell volume: 3743 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No