Information card for entry 4350203

Structure parameters

• Formula: C43 H71 B O P6 Pd S4 W3
• Calculated formula: C43 H68 B O P6 Pd S4 W3
• SMILES: [W]123456([W]789%10%11([W]%12%13%141([Pd]27([S]49)([S]%10%12)([S]5%13)C#[O])([S]38)[P](C)(C)CC[P]%14(C)C)[P](C)(C)CC[P]%11(C)C)[P](C)(C)CC[P]6(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of the novel [W3PdS4H3(dmpe)3(CO)]+ cubane cluster and kinetic studies on the substitution of coordinated hydrides in acidic media.
• Authors of publication: Algarra, Andrés G; Basallote, Manuel G.; Feliz, Marta; Fernandez-Trujillo, M Jesús; Guillamón, Eva; Llusar, Rosa; Vicent, Cristian
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5576 - 5584
• a: 32.037 ± 0.003 Å
• b: 21.782 ± 0.002 Å
• c: 22.351 ± 0.002 Å
• α: 90°
• β: 134.204 ± 0.002°
• γ: 90°
• Cell volume: 11181 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No