Information card for entry 2008045

Structure parameters

• Chemical name: bis(tetraphenylphosphonium) bis(cis-1,2-dicarbomethoxyethylene-1,2-diseleno)- palladate(II)
• Formula: C60 H52 O8 P2 Pd Se4
• Calculated formula: C60 H52 O8 P2 Pd Se4
• SMILES: C1(=C(C(=O)OC)[Se][Pd]2([Se]1)[Se]C(=C(C(=O)OC)[Se]2)C(=O)OC)C(=O)OC.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: [PPh~4~]~2~[Pd{Se~2~C~2~(COOCH~3~)~2~}~2~]
• Authors of publication: McLauchlan, Craig C.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 30 - 32
• a: 10.273 ± 0.002 Å
• b: 11.077 ± 0.002 Å
• c: 13.803 ± 0.003 Å
• α: 69.43 ± 0.01°
• β: 68.45 ± 0.01°
• γ: 79.33 ± 0.01°
• Cell volume: 1364.9 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No