Information card for entry 4322519

Structure parameters

• Formula: C16 H41 O8 Pt3 Re
• Calculated formula: C16 H41 O8 Pt3 Re
• SMILES: [Pt]12([OH]3[Pt]4([OH]1[Pt]5([OH]2[Re]3([OH]45)(C#[O])(C#[O])C#[O])(C)(C)C)(C)(C)C)(C)(C)C.O(CC)CC
• Title of publication: Synthesis and Characterization of {Re(CO)3}4-n{PtMe3}n(OH)4, (n= 1-3). A Set of Heterobimetallic Hydroxy Cubane Complexes
• Authors of publication: Udo Brand; Chris A. Wright; John R. Shapley
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5910 - 5912
• a: 9.222 ± 0.002 Å
• b: 10.177 ± 0.002 Å
• c: 27.976 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2625.6 ± 1 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1198
• Weighted residual factors for significantly intense reflections: 0.1186
• Goodness-of-fit parameter for all reflections: 1.103
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No