Information card for entry 2243920

Structure parameters

• Chemical name: Octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium
• Formula: C82 H60 O10 P4 Pd4 Re2
• Calculated formula: C82 H60 O10 P4 Pd4 Re2
• SMILES: C(#[O])[Re]1234567C(=O)[Pd]85(C(=O)[Re]59%108(C#[O])(C(=O)[Pd]4%10(C2=O)[P](c2ccccc2)(c2ccccc2)c2ccccc2)([Pd]6(C1=O)(C9=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]7(C5=O)(C3=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate)
• Authors of publication: Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• a: 12.9278 ± 0.0004 Å
• b: 13.5132 ± 0.0005 Å
• c: 14.1184 ± 0.0005 Å
• α: 105.983 ± 0.001°
• β: 108.51 ± 0.001°
• γ: 106.129 ± 0.001°
• Cell volume: 2060.1 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes