Information card for entry 7127714

Structure parameters

• Formula: C18 H48 N10 O16 Pd Rh2 S6
• Calculated formula: C18 H48 N10 O16 Pd Rh2 S6
• SMILES: [Rh]12345[S](CCC[NH2]3)[Pd]36([S](CCC[NH2]7)[Rh]897([S]3CCC[NH2]8)[S]6CCC[NH2]9)([S]1CCC[NH2]4)[S]2CCC[NH2]5.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• Title of publication: Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.
• Authors of publication: Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1336 - 1339
• a: 13.8176 ± 0.0003 Å
• b: 12.4115 ± 0.0002 Å
• c: 23.4669 ± 0.0004 Å
• α: 90°
• β: 97.207 ± 0.007°
• γ: 90°
• Cell volume: 3992.71 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No