Information card for entry 2204369

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) bis(tetraselenomolybdato)palladate(II)
• Formula: C48 H40 Mo2 P2 Pd Se8
• Calculated formula: C48 H40 Mo2 P2 Pd Se8
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]12([Se][Mo]([Se]1)(=[Se])=[Se])[Se][Mo]([Se]2)(=[Se])=[Se].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) bis(tetraselenomolybdato)palladate(II)
• Authors of publication: Shiffler, Zachary J.; Baldwin, Steven M.; Keane, Joseph M.; Belz, Brian L.; Barr, Matthew L.; Slavin III, Edward R.; Kastner, Margaret E.; Mahler, Charles H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1539 - m1541
• a: 9.4976 ± 0.0009 Å
• b: 12.5798 ± 0.0016 Å
• c: 12.622 ± 0.003 Å
• α: 66.096 ± 0.013°
• β: 84.511 ± 0.013°
• γ: 70.047 ± 0.009°
• Cell volume: 1294.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0831
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes