Information card for entry 1560096

Structure parameters

• Formula: C32 H48 O3 P2 Pd W
• Calculated formula: C32 H48 O3 P2 Pd W
• SMILES: [W]1234(C#[O][Pd]56[P](Cc7c6c(ccc7)C[P]5(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”
• Authors of publication: Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3682 - 3692
• a: 8.2012 ± 0.0002 Å
• b: 37.372 ± 0.0008 Å
• c: 10.9355 ± 0.0002 Å
• α: 90°
• β: 103.388 ± 0.001°
• γ: 90°
• Cell volume: 3260.59 ± 0.12 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No