Information card for entry 7016487

Structure parameters

• Formula: C50 H40 P4 Se6 Tl2
• Calculated formula: C50 H40 P4 Se6 Tl2
• SMILES: [Se]1[Tl]234([Se]=P(C1=P([Se]3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Se]=P(C(=P([Se]4)(c1ccccc1)c1ccccc1)[Se]2)(c1ccccc1)c1ccccc1.[Tl+]
• Title of publication: Homoleptic, heteroleptic and mixed-valent thallium and indium complexes of multidentate chalcogen-centred PCP-bridged ligands.
• Authors of publication: Risto, Maarit; Chivers, Tristram; Konu, Jari
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8238 - 8246
• a: 27.544 ± 0.006 Å
• b: 12.641 ± 0.003 Å
• c: 16.371 ± 0.003 Å
• α: 90°
• β: 118.85 ± 0.03°
• γ: 90°
• Cell volume: 4993 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No