Information card for entry 1540184

Structure parameters

• Formula: C50 H76 B Cu Mn2 O4 P2 Pt
• Calculated formula: C50 H76 B Cu Mn2 O4 P2 Pt
• SMILES: [Pt]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C(=O)[Mn]2345(C#[O])([cH]6[cH]2[cH]3[cH]4[cH]56)[B]21[Cu]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C(=O)[Mn]21345(C#[O])[cH]2[cH]1[cH]3[cH]4[cH]25
• Title of publication: Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters
• Authors of publication: Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 109
• a: 11.174 ± 0.0008 Å
• b: 11.176 ± 0.0008 Å
• c: 19.8602 ± 0.0014 Å
• α: 83.931 ± 0.002°
• β: 83.831 ± 0.002°
• γ: 75.995 ± 0.002°
• Cell volume: 2384.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No