Information card for entry 7105330

Structure parameters

• Formula: C58 H56 Hg2 O2 P4 Se6
• Calculated formula: C58 H56 Hg2 O2 P4 Se6
• SMILES: O1CCCC1.[Hg]12([Se]=P(C(=P([Se]3)(c4ccccc4)c4ccccc4)[Se]1[Hg]134)(c3ccccc3)c3ccccc3)[Se]=P(C(=P([Se]1)(c1ccccc1)c1ccccc1)[Se]42)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Novel carbon-centred reactivity of [(H)C(PPh2Se)2]- in the formation of structurally diverse Sn(IV), Te(IV) and Hg(II) complexes of the triseleno ligand [(Se)C(PPh2Se)2]2-.
• Authors of publication: Konu, Jari; Chivers, Tristram
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 1431 - 1433
• a: 16.115 ± 0.003 Å
• b: 11.323 ± 0.002 Å
• c: 16.189 ± 0.003 Å
• α: 90°
• β: 94.99 ± 0.03°
• γ: 90°
• Cell volume: 2942.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No