Information card for entry 7016491

Structure parameters

• Formula: C31 H36 Cl In N2 P2 S2 Se
• Calculated formula: C31 H36 Cl In N2 P2 S2 Se
• 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: 17.18 ± 0.003 Å
• b: 16.748 ± 0.003 Å
• c: 12.007 ± 0.002 Å
• α: 90°
• β: 108.28 ± 0.03°
• γ: 90°
• Cell volume: 3280.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No