Information card for entry 4322518

Structure parameters

• Formula: C18 H25 O15 Pt Re3
• Calculated formula: C18 H25 O15 Pt Re3
• SMILES: [Pt]12([OH]3[Re]4([OH]5[Re]([OH]1[Re]35(C#[O])(C#[O])C#[O])([OH]24)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C)(C)C.O=C(C)C.O=C(C)C
• 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: 11.8513 ± 0.0005 Å
• b: 16.9887 ± 0.0007 Å
• c: 14.7834 ± 0.0006 Å
• α: 90°
• β: 95.853 ± 0.001°
• γ: 90°
• Cell volume: 2960.9 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.0648
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No