Information card for entry 7210330

Structure parameters

• Formula: C24 H70 Cl2 N8 O28 Pd6 S8
• Calculated formula: C24 H46 Cl2 N8 O28 Pd6 S8
• SMILES: [Pd]123[S]4C[C@H]([NH2][Pd]54[NH2][C@@H](C[S]5[Pd]([S]4C[C@@H](C(=O)O)[NH2][Pd]54[NH2][C@@H](C[S]15)C(=O)O)([S]1C[C@@H](C(=O)O)[NH2][Pd]41[NH2][C@@H](C[S]24)C(=O)O)[S]1C[C@@H](C(=O)O)[NH2][Pd]21[NH2][C@@H](C[S]32)C(=O)O)C(=O)O)C(=O)O.O.[Cl-].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters
• Authors of publication: Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 6461
• a: 18.044 ± 0.006 Å
• b: 18.044 ± 0.006 Å
• c: 19.407 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6319 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No